 Entering Gaussian System, Link 0=g16
 Input=18_methylcyclopentanone_Chair_STD_LCPBE_augccpVDZ.in
 Output=18_methylcyclopentanone_Chair_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/18_methylcyclopentanone_Chair_STD/Gau-9084.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/18_methylcyclopentanone_Chair_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      9085.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=18_methylcyclopentanone_Chair_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tigh
 t) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=033500
 0000,3/108=0335000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131
 =-1)
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=335000000,108=335000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 19:14:03 2021, MaxMem=  5637144576 cpu:               1.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "18_methylcyclopentanone_Chair_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.561346000000      1.265532000000      0.172998000000
  C                                                 1.075011000000     -0.082384000000     -0.372450000000
  C                                                -0.949016000000      1.226539000000     -0.069358000000
  C                                                -1.318654000000     -0.252798000000      0.015396000000
  C                                                -0.029451000000     -1.065890000000      0.032823000000
  H                                                -1.198655000000      1.562128000000     -1.081455000000
  H                                                -1.551039000000      1.816556000000      0.620921000000
  O                                                -2.436471000000     -0.697326000000      0.059393000000
  H                                                -0.115613000000     -1.955716000000     -0.590107000000
  H                                                 0.122949000000     -1.406004000000      1.064587000000
  H                                                 1.054617000000      2.117373000000     -0.295556000000
  H                                                 0.767800000000      1.319480000000      1.246510000000
  C                                                 2.468129000000     -0.457422000000      0.107541000000
  H                                                 1.085579000000     -0.017304000000     -1.466677000000
  H                                                 2.491050000000     -0.538135000000      1.197571000000
  H                                                 3.202798000000      0.295018000000     -0.187539000000
  H                                                 2.788086000000     -1.416262000000     -0.305093000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     17 NQM=       17 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12           1           1          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17
 IAtWgt=           1           1          12           1           1           1           1
 AtmWgt=   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           0           1           1           1           1
 AtZEff=   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Fri Jul 16 19:14:04 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.561346    1.265532    0.172998
      2          6           0        1.075011   -0.082384   -0.372450
      3          6           0       -0.949016    1.226539   -0.069358
      4          6           0       -1.318654   -0.252798    0.015396
      5          6           0       -0.029451   -1.065890    0.032823
      6          1           0       -1.198655    1.562128   -1.081455
      7          1           0       -1.551039    1.816556    0.620921
      8          8           0       -2.436471   -0.697326    0.059393
      9          1           0       -0.115613   -1.955716   -0.590107
     10          1           0        0.122949   -1.406004    1.064587
     11          1           0        1.054617    2.117373   -0.295556
     12          1           0        0.767800    1.319480    1.246510
     13          6           0        2.468129   -0.457422    0.107541
     14          1           0        1.085579   -0.017304   -1.466677
     15          1           0        2.491050   -0.538135    1.197571
     16          1           0        3.202798    0.295018   -0.187539
     17          1           0        2.788086   -1.416262   -0.305093
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.542155   0.000000
     3  C    1.530180   2.429368   0.000000
     4  C    2.421686   2.430864   1.527172   0.000000
     5  C    2.409195   1.533417   2.472099   1.524292   0.000000
     6  H    2.181565   2.894247   1.095116   2.124015   3.084661
     7  H    2.228549   3.389528   1.089512   2.168615   3.312036
     8  O    3.585056   3.590981   2.435232   1.203767   2.435219
     9  H    3.378911   2.230321   3.330539   2.171145   1.089613
    10  H    2.850303   2.173354   3.060265   2.123418   1.097014
    11  H    1.090180   2.201195   2.204381   3.368504   3.378787
    12  H    1.094514   2.163477   2.165087   2.888077   2.792604
    13  C    2.570735   1.520468   3.813646   3.793427   2.571716
    14  H    2.146863   1.096212   2.763914   2.834137   2.142738
    15  H    2.833147   2.162832   4.068567   3.999100   2.826321
    16  H    2.837103   2.168894   4.256672   4.559036   3.513981
    17  H    3.518375   2.172186   4.583219   4.280383   2.859277
                    6          7          8          9         10
     6  H    0.000000
     7  H    1.756984   0.000000
     8  O    2.817597   2.723767   0.000000
     9  H    3.713439   4.213914   2.718782   0.000000
    10  H    3.893834   3.658411   2.839590   1.759860   0.000000
    11  H    2.450137   2.778464   4.498468   4.248088   3.890010
    12  H    3.056999   2.452644   3.967884   3.857524   2.806634
    13  C    4.351735   4.646315   4.910700   3.067136   2.704739
    14  H    2.803699   3.830517   3.898225   2.443088   3.043426
    15  H    4.818608   4.713340   5.059768   3.464105   2.525625
    16  H    4.666631   5.056447   5.731237   4.029853   3.734537
    17  H    5.036631   5.489683   5.286371   2.967105   2.996512
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.759791   0.000000
    13  C    2.964806   2.710304   0.000000
    14  H    2.435021   3.041276   2.140867   0.000000
    15  H    3.368158   2.534308   1.093254   3.056932   0.000000
    16  H    2.819100   3.005867   1.092235   2.493262   1.766142
    17  H    3.935935   3.738089   1.091794   2.490962   1.765598
                   16         17
    16  H    0.000000
    17  H    1.764733   0.000000
 Stoichiometry    C6H10O
 Framework group  C1[X(C6H10O)]
 Deg. of freedom    45
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.19D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.561346    1.265532    0.172998
      2          6           0        1.075011   -0.082384   -0.372450
      3          6           0       -0.949016    1.226539   -0.069358
      4          6           0       -1.318654   -0.252798    0.015396
      5          6           0       -0.029451   -1.065890    0.032823
      6          1           0       -1.198655    1.562128   -1.081455
      7          1           0       -1.551039    1.816556    0.620921
      8          8           0       -2.436471   -0.697326    0.059393
      9          1           0       -0.115613   -1.955716   -0.590107
     10          1           0        0.122949   -1.406004    1.064587
     11          1           0        1.054617    2.117373   -0.295556
     12          1           0        0.767800    1.319480    1.246510
     13          6           0        2.468129   -0.457421    0.107541
     14          1           0        1.085579   -0.017304   -1.466677
     15          1           0        2.491050   -0.538134    1.197571
     16          1           0        3.202798    0.295019   -0.187539
     17          1           0        2.788086   -1.416261   -0.305093
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           5.4414929           1.9527670           1.5305717
 Leave Link  202 at Fri Jul 16 19:14:04 2021, MaxMem=  5637144576 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       6      7      9     10     11     12     14     15     16     17
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5     13
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  21 primitive shells out of 276 were deleted.
 There are   265 symmetry adapted cartesian basis functions of A   symmetry.
 There are   251 symmetry adapted basis functions of A   symmetry.
   251 basis functions,   449 primitive gaussians,   265 cartesian basis functions
    27 alpha electrons       27 beta electrons
       nuclear repulsion energy       306.1006696928 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.335000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.335000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   17 NActive=   17 NUniq=   17 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 16 19:14:06 2021, MaxMem=  5637144576 cpu:              15.8 elap:               2.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   251 RedAO= T EigKep=  1.09D-05  NBF=   251
 NBsUse=   251 1.00D-06 EigRej= -1.00D+00 NBFU=   251
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   265   265   265   265   265 MxSgAt=    17 MxSgA2=    17.
 Leave Link  302 at Fri Jul 16 19:14:09 2021, MaxMem=  5637144576 cpu:              19.4 elap:               2.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 19:14:10 2021, MaxMem=  5637144576 cpu:               2.7 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "18_methylcyclopentanone_Chair_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 19:14:12 2021, MaxMem=  5637144576 cpu:               8.7 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636999353 LenY=  5636928687
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -308.928598422506    
 DIIS: error= 3.52D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -308.928598422506     IErMin= 1 ErrMin= 3.52D-03
 ErrMax= 3.52D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.94D-03 BMatP= 7.94D-03
 IDIUse=3 WtCom= 9.65D-01 WtEn= 3.52D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.398 Goal=   None    Shift=    0.000
 GapD=    0.398 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.90D-03 MaxDP=5.85D-01              OVMax= 1.82D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.64D-03    CP:  1.09D+00
 E= -308.935858734381     Delta-E=       -0.007260311875 Rises=F Damp=F
 DIIS: error= 1.86D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -308.935858734381     IErMin= 2 ErrMin= 1.86D-03
 ErrMax= 1.86D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-03 BMatP= 7.94D-03
 IDIUse=3 WtCom= 9.81D-01 WtEn= 1.86D-02
 Coeff-Com:  0.133D+00 0.867D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.131D+00 0.869D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=1.42D-03 MaxDP=9.06D-02 DE=-7.26D-03 OVMax= 1.19D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.02D-04    CP:  1.10D+00  1.12D+00
 E= -308.935897078379     Delta-E=       -0.000038343998 Rises=F Damp=F
 DIIS: error= 2.09D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -308.935897078379     IErMin= 2 ErrMin= 1.86D-03
 ErrMax= 2.09D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-03 BMatP= 1.07D-03
 IDIUse=3 WtCom= 1.80D-01 WtEn= 8.20D-01
 Coeff-Com: -0.410D-01 0.529D+00 0.512D+00
 Coeff-En:   0.000D+00 0.489D+00 0.511D+00
 Coeff:     -0.737D-02 0.496D+00 0.511D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=4.37D-04 MaxDP=2.36D-02 DE=-3.83D-05 OVMax= 8.32D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.41D-04    CP:  1.10D+00  1.16D+00  1.09D+00
 E= -308.936774761063     Delta-E=       -0.000877682683 Rises=F Damp=F
 DIIS: error= 2.77D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -308.936774761063     IErMin= 4 ErrMin= 2.77D-04
 ErrMax= 2.77D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.08D-05 BMatP= 1.07D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.77D-03
 Coeff-Com: -0.738D-02-0.255D-01 0.915D-01 0.941D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.736D-02-0.254D-01 0.913D-01 0.942D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=2.42D-04 MaxDP=1.51D-02 DE=-8.78D-04 OVMax= 1.22D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  8.15D-05    CP:  1.10D+00  1.18D+00  1.28D+00  1.24D+00
 E= -308.936793667353     Delta-E=       -0.000018906291 Rises=F Damp=F
 DIIS: error= 5.55D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -308.936793667353     IErMin= 5 ErrMin= 5.55D-05
 ErrMax= 5.55D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.63D-06 BMatP= 2.08D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.134D-02-0.705D-01-0.206D-01 0.361D+00 0.729D+00
 Coeff:      0.134D-02-0.705D-01-0.206D-01 0.361D+00 0.729D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=6.07D-05 MaxDP=4.29D-03 DE=-1.89D-05 OVMax= 4.00D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.21D-05    CP:  1.10D+00  1.18D+00  1.33D+00  1.32D+00  1.19D+00
 E= -308.936795529421     Delta-E=       -0.000001862068 Rises=F Damp=F
 DIIS: error= 1.01D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -308.936795529421     IErMin= 6 ErrMin= 1.01D-05
 ErrMax= 1.01D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.52D-08 BMatP= 1.63D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.614D-03-0.731D-02-0.675D-02-0.557D-03 0.864D-01 0.928D+00
 Coeff:      0.614D-03-0.731D-02-0.675D-02-0.557D-03 0.864D-01 0.928D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.38D-05 MaxDP=9.62D-04 DE=-1.86D-06 OVMax= 1.01D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.34D-06    CP:  1.10D+00  1.18D+00  1.34D+00  1.34D+00  1.28D+00
                    CP:  1.18D+00
 E= -308.936795577874     Delta-E=       -0.000000048452 Rises=F Damp=F
 DIIS: error= 2.04D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -308.936795577874     IErMin= 7 ErrMin= 2.04D-06
 ErrMax= 2.04D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.60D-09 BMatP= 2.52D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.532D-04 0.290D-02-0.138D-03-0.240D-01-0.288D-01 0.236D+00
 Coeff-Com:  0.814D+00
 Coeff:      0.532D-04 0.290D-02-0.138D-03-0.240D-01-0.288D-01 0.236D+00
 Coeff:      0.814D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=3.33D-06 MaxDP=1.99D-04 DE=-4.85D-08 OVMax= 2.98D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.12D-06    CP:  1.10D+00  1.18D+00  1.34D+00  1.35D+00  1.30D+00
                    CP:  1.25D+00  1.11D+00
 E= -308.936795583122     Delta-E=       -0.000000005248 Rises=F Damp=F
 DIIS: error= 6.45D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -308.936795583122     IErMin= 8 ErrMin= 6.45D-07
 ErrMax= 6.45D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.77D-10 BMatP= 3.60D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.513D-04 0.154D-02 0.704D-03-0.693D-02-0.179D-01-0.344D-01
 Coeff-Com:  0.218D+00 0.839D+00
 Coeff:     -0.513D-04 0.154D-02 0.704D-03-0.693D-02-0.179D-01-0.344D-01
 Coeff:      0.218D+00 0.839D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=8.83D-07 MaxDP=5.22D-05 DE=-5.25D-09 OVMax= 1.21D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.06D-07    CP:  1.10D+00  1.18D+00  1.34D+00  1.35D+00  1.31D+00
                    CP:  1.27D+00  1.20D+00  1.08D+00
 E= -308.936795583727     Delta-E=       -0.000000000605 Rises=F Damp=F
 DIIS: error= 1.36D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -308.936795583727     IErMin= 9 ErrMin= 1.36D-07
 ErrMax= 1.36D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-11 BMatP= 3.77D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.856D-05-0.434D-04 0.101D-03 0.885D-03 0.563D-03-0.158D-01
 Coeff-Com: -0.367D-01 0.532D-01 0.998D+00
 Coeff:     -0.856D-05-0.434D-04 0.101D-03 0.885D-03 0.563D-03-0.158D-01
 Coeff:     -0.367D-01 0.532D-01 0.998D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.40D-07 MaxDP=8.53D-06 DE=-6.05D-10 OVMax= 3.27D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  7.74D-08    CP:  1.10D+00  1.18D+00  1.34D+00  1.35D+00  1.31D+00
                    CP:  1.27D+00  1.21D+00  1.15D+00  1.17D+00
 E= -308.936795583748     Delta-E=       -0.000000000021 Rises=F Damp=F
 DIIS: error= 4.03D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -308.936795583748     IErMin=10 ErrMin= 4.03D-08
 ErrMax= 4.03D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.28D-12 BMatP= 1.26D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.274D-05-0.117D-03-0.309D-04 0.657D-03 0.137D-02-0.927D-03
 Coeff-Com: -0.231D-01-0.431D-01 0.219D+00 0.846D+00
 Coeff:      0.274D-05-0.117D-03-0.309D-04 0.657D-03 0.137D-02-0.927D-03
 Coeff:     -0.231D-01-0.431D-01 0.219D+00 0.846D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=4.27D-08 MaxDP=2.64D-06 DE=-2.13D-11 OVMax= 8.25D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.94D-08    CP:  1.10D+00  1.18D+00  1.34D+00  1.35D+00  1.31D+00
                    CP:  1.27D+00  1.21D+00  1.15D+00  1.21D+00  1.11D+00
 E= -308.936795583751     Delta-E=       -0.000000000003 Rises=F Damp=F
 DIIS: error= 1.21D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -308.936795583751     IErMin=11 ErrMin= 1.21D-08
 ErrMax= 1.21D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.37D-13 BMatP= 1.28D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.981D-06-0.210D-04-0.148D-04 0.716D-04 0.243D-03 0.110D-02
 Coeff-Com: -0.193D-02-0.129D-01-0.406D-01 0.209D+00 0.845D+00
 Coeff:      0.981D-06-0.210D-04-0.148D-04 0.716D-04 0.243D-03 0.110D-02
 Coeff:     -0.193D-02-0.129D-01-0.406D-01 0.209D+00 0.845D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.16D-08 MaxDP=5.73D-07 DE=-3.18D-12 OVMax= 3.32D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  6.18D-09    CP:  1.10D+00  1.18D+00  1.34D+00  1.35D+00  1.31D+00
                    CP:  1.27D+00  1.21D+00  1.15D+00  1.21D+00  1.16D+00
                    CP:  1.13D+00
 E= -308.936795583752     Delta-E=       -0.000000000000 Rises=F Damp=F
 DIIS: error= 3.50D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -308.936795583752     IErMin=12 ErrMin= 3.50D-09
 ErrMax= 3.50D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.56D-15 BMatP= 1.37D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.208D-06 0.109D-04 0.229D-05-0.598D-04-0.131D-03 0.813D-04
 Coeff-Com:  0.218D-02 0.420D-02-0.237D-01-0.793D-01-0.113D-01 0.111D+01
 Coeff:     -0.208D-06 0.109D-04 0.229D-05-0.598D-04-0.131D-03 0.813D-04
 Coeff:      0.218D-02 0.420D-02-0.237D-01-0.793D-01-0.113D-01 0.111D+01
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=4.66D-09 MaxDP=3.03D-07 DE=-3.41D-13 OVMax= 1.99D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -308.936795584     A.U. after   12 cycles
            NFock= 12  Conv=0.47D-08     -V/T= 2.0053
 KE= 3.073189066937D+02 PE=-1.331935660440D+03 EE= 4.095792884696D+02
 Leave Link  502 at Fri Jul 16 19:16:38 2021, MaxMem=  5637144576 cpu:            1162.2 elap:             145.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   251
 NBasis=   251 NAE=    27 NBE=    27 NFC=     0 NFV=     0
 NROrb=    251 NOA=    27 NOB=    27 NVA=   224 NVB=   224

 **** Warning!!: The largest alpha MO coefficient is  0.76568827D+02

 Leave Link  801 at Fri Jul 16 19:16:38 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5263 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          17
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.01D-13 8.33D-09 XBig12= 1.00D+00 2.22D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.01D-13 8.33D-09 XBig12= 1.40D-01 9.73D-02.
     11 vectors produced by pass  2 Test12= 1.01D-13 8.33D-09 XBig12= 1.93D-02 3.54D-02.
     11 vectors produced by pass  3 Test12= 1.01D-13 8.33D-09 XBig12= 1.43D-03 7.99D-03.
     11 vectors produced by pass  4 Test12= 1.01D-13 8.33D-09 XBig12= 6.98D-05 1.68D-03.
     11 vectors produced by pass  5 Test12= 1.01D-13 8.33D-09 XBig12= 1.62D-06 2.14D-04.
     11 vectors produced by pass  6 Test12= 1.01D-13 8.33D-09 XBig12= 4.77D-08 3.40D-05.
     11 vectors produced by pass  7 Test12= 1.01D-13 8.33D-09 XBig12= 1.11D-09 6.23D-06.
     11 vectors produced by pass  8 Test12= 1.01D-13 8.33D-09 XBig12= 2.04D-11 5.93D-07.
      8 vectors produced by pass  9 Test12= 1.01D-13 8.33D-09 XBig12= 3.05D-13 6.41D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 6.04D-14
 Solved reduced A of dimension   107 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.874405D+02
      2  0.119357D+00  0.757470D+02
      3  0.348496D+00 -0.489885D+00  0.616199D+02
 Isotropic polarizability for W=    0.093368       74.94 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1   0.336377D+02 -0.208693D+02 -0.589878D+00
      2  -0.179162D+02  0.195177D+02 -0.450620D+01
      3  -0.157215D+02  0.135166D+01  0.509608D+01
      4  -0.103240D+02  0.273278D+02  0.192729D+01
      5   0.394732D+01  0.204117D+00  0.470928D+02
      6  -0.119657D+01 -0.315131D+01  0.100273D+02
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.175796D+01 -0.641087D+00 -0.425015D+01
      2   0.646846D+00  0.292105D+00  0.213347D+02
      3   0.660551D+01 -0.138923D+02 -0.704308D+00
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.172317D+01  0.135489D+01 -0.867562D+01
      2  -0.453720D+01  0.312386D+01  0.628143D+02
      3   0.105453D+02 -0.452440D+02 -0.140069D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.636895D+00 -0.399229D+00 -0.355127D+00
      2  -0.399229D+00 -0.450167D+00  0.335704D+00
      3  -0.355127D+00  0.335704D+00 -0.108310D+01
 OR G Eigenvalues:    -1.2981    -0.9423     0.0702  Iso=     0.7234
 Eigenvectors:
   (1)   0.378060  -0.181423   0.907831
   (2)   0.710792   0.685179  -0.159077
   (3)  -0.593166   0.705419   0.387992
 w=    0.093368 a.u., Optical Rotation Beta=      0.7234 au.
 Molar Mass =     98.1444 grams/mole, [Alpha] ( 4880.0 A) =      415.44 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   31626 ScalPx= 7.66D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   31626 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.17D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.68D-14 2.78D-09 XBig12= 1.00D+00 5.01D-01.
     30 vectors produced by pass  1 Test12= 1.68D-14 2.78D-09 XBig12= 1.80D-02 2.82D-02.
     30 vectors produced by pass  2 Test12= 1.68D-14 2.78D-09 XBig12= 1.18D-03 7.81D-03.
     30 vectors produced by pass  3 Test12= 1.68D-14 2.78D-09 XBig12= 1.98D-05 8.95D-04.
     30 vectors produced by pass  4 Test12= 1.68D-14 2.78D-09 XBig12= 2.91D-07 4.95D-05.
     30 vectors produced by pass  5 Test12= 1.68D-14 2.78D-09 XBig12= 3.14D-09 5.67D-06.
     30 vectors produced by pass  6 Test12= 1.68D-14 2.78D-09 XBig12= 2.78D-11 4.94D-07.
     30 vectors produced by pass  7 Test12= 1.68D-14 2.78D-09 XBig12= 2.28D-13 4.59D-08.
      1 vectors produced by pass  8 Test12= 1.68D-14 2.78D-09 XBig12= 1.86D-15 4.53D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   241 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   31626 ScalPx= 2.49D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   31626 ScalPx= 2.49D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   31626 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.28D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.874405D+02  0.119357D+00  0.348496D+00
      2   0.119357D+00  0.757470D+02 -0.489885D+00
      3   0.348496D+00 -0.489885D+00  0.616199D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.175796D+01 -0.641087D+00 -0.425015D+01
      2   0.646846D+00  0.292105D+00  0.213347D+02
      3   0.660551D+01 -0.138923D+02 -0.704308D+00
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.336377D+02 -0.208693D+02 -0.589878D+00
      2  -0.179162D+02  0.195177D+02 -0.450620D+01
      3  -0.157215D+02  0.135166D+01  0.509608D+01
      4  -0.103240D+02  0.273278D+02  0.192729D+01
      5   0.394732D+01  0.204117D+00  0.470928D+02
      6  -0.119657D+01 -0.315131D+01  0.100273D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.228285D+01 -0.983072D+00  0.866303D+00 -0.157921D+00 -0.409332D+01
      2  -0.983072D+00 -0.324598D+01  0.127804D+00 -0.409332D+01 -0.775008D+00
      3   0.866303D+00  0.127804D+00 -0.171103D+01  0.246989D+00  0.219874D+01
                 6             7             8             9            10 
      1   0.246989D+00  0.141310D+01  0.477601D+00 -0.209543D+01 -0.833196D+00
      2   0.219874D+01  0.477601D+00  0.301677D+01 -0.983999D+00  0.218192D+01
      3  -0.594482D+00 -0.209543D+01 -0.983999D+00 -0.646220D+01 -0.102145D+01
                11            12            13            14            15 
      1   0.218192D+01 -0.102145D+01  0.201993D+01  0.276154D+01  0.273545D+00
      2   0.322742D+01  0.245739D+00  0.276154D+01 -0.268138D+01 -0.135262D+01
      3   0.245739D+00  0.379397D-01  0.273545D+00 -0.135262D+01 -0.836674D+00
                16            17            18            19            20 
      1  -0.186279D+01  0.276745D+00  0.767451D+00 -0.106672D+01 -0.173881D+01
      2   0.276745D+00 -0.156441D+01 -0.907120D+00 -0.173881D+01  0.439871D+01
      3   0.767451D+00 -0.907120D+00  0.945670D+01 -0.996950D+00  0.534789D+00
                21            22            23            24            25 
      1  -0.996950D+00 -0.171345D+01  0.231638D+01  0.698481D+00 -0.106118D+01
      2   0.534789D+00  0.231638D+01  0.122237D+01 -0.675834D+00  0.154506D+01
      3   0.224161D+01  0.698481D+00 -0.675834D+00 -0.217753D+01  0.246607D+01
                26            27            28            29            30 
      1   0.154506D+01  0.246607D+01  0.486251D+01  0.462574D+01  0.575646D-01
      2  -0.265379D-01 -0.312670D+01  0.462574D+01 -0.298749D+01 -0.309742D+00
      3  -0.312670D+01  0.345129D+01  0.575646D-01 -0.309742D+00 -0.447983D+00
                31            32            33            34            35 
      1   0.322325D+01  0.205628D+00 -0.549605D+00  0.653849D+00 -0.867411D+00
      2   0.205628D+00 -0.267522D+01 -0.284884D+00 -0.867411D+00 -0.438432D+00
      3  -0.549605D+00 -0.284884D+00 -0.215277D-01 -0.908105D-01  0.112177D+00
                36            37            38            39            40 
      1  -0.908105D-01  0.323013D+00 -0.307429D+01  0.152764D-01 -0.188037D+01
      2   0.112177D+00 -0.307429D+01  0.127093D+01  0.502687D+00 -0.526312D+00
      3   0.397471D-02  0.152764D-01  0.502687D+00 -0.281347D+00  0.422762D+00
                41            42            43            44            45 
      1  -0.526312D+00  0.422762D+00 -0.113792D+01  0.126413D+01 -0.814250D+00
      2   0.529228D+01  0.156422D+01  0.126413D+01  0.225010D+01  0.328474D+01
      3   0.156422D+01  0.278803D+01 -0.814250D+00  0.328474D+01 -0.423876D+01
                46            47            48            49            50 
      1  -0.864864D+00  0.112945D+01 -0.129089D+01  0.785831D+00 -0.849720D+00
      2   0.112945D+01 -0.155462D+01  0.608463D+00 -0.849720D+00  0.208744D+01
      3  -0.129089D+01  0.608463D+00 -0.123385D+01  0.348711D+00 -0.154089D+01
                51            52            53            54            55 
      1   0.348711D+00 -0.231277D+01  0.628992D+00 -0.192534D+01 -0.374554D+01
      2  -0.154089D+01  0.628992D+00 -0.311538D+01  0.305618D+01  0.249341D+01
      3   0.176543D+01 -0.192534D+01  0.305618D+01 -0.623201D+01  0.161679D+01
                56            57            58            59            60 
      1   0.249341D+01  0.161679D+01  0.203498D+01 -0.205898D+01 -0.741045D+00
      2  -0.324449D+01 -0.100744D+01 -0.205898D+01  0.394239D+01  0.156140D+01
      3  -0.100744D+01 -0.149069D+01 -0.741045D+00  0.156140D+01  0.156640D+01
                61            62            63            64            65 
      1   0.265656D+01 -0.164163D+01 -0.180656D+01 -0.150436D+02 -0.426168D+01
      2  -0.164163D+01  0.266013D+01  0.237791D+01 -0.426168D+01 -0.175081D+01
      3  -0.180656D+01  0.237791D+01  0.215065D+01  0.352607D+00  0.568917D-01
                66            67            68            69            70 
      1   0.352607D+00 -0.344468D+01 -0.415877D+01  0.114782D+00  0.377191D-01
      2   0.568917D-01 -0.415877D+01 -0.284628D+01  0.127799D+00  0.232324D+00
      3  -0.153914D+01  0.114782D+00  0.127799D+00 -0.659996D+00 -0.371895D+01
                71            72            73            74            75 
      1   0.232324D+00 -0.371895D+01 -0.290803D+00 -0.835730D+00 -0.681673D+00
      2   0.171165D+00 -0.142095D+01 -0.835730D+00 -0.999591D+00 -0.291443D+00
      3  -0.142095D+01  0.300814D+00 -0.681673D+00 -0.291443D+00 -0.649128D-01
                76            77            78            79            80 
      1  -0.148299D+01 -0.526051D-01 -0.622535D-01 -0.909626D+00 -0.271166D+00
      2  -0.526051D-01 -0.750336D+01 -0.228360D+01 -0.271166D+00 -0.380027D+01
      3  -0.622535D-01 -0.228360D+01 -0.200039D+01  0.195782D+00 -0.255054D+01
                81            82            83            84            85 
      1   0.195782D+00  0.968702D+00 -0.102821D+00  0.104593D+01 -0.200171D+00
      2  -0.255054D+01 -0.102821D+00  0.128334D+00 -0.266672D+00  0.565159D+00
      3  -0.177411D+01  0.104593D+01 -0.266672D+00  0.793473D+00 -0.294796D+00
                86            87            88            89            90 
      1   0.565159D+00 -0.294796D+00  0.268752D+01 -0.538852D+00  0.830758D+00
      2  -0.244191D+01  0.145565D+01 -0.538852D+00  0.267707D+01 -0.292946D+01
      3   0.145565D+01 -0.158837D+01  0.830758D+00 -0.292946D+01  0.614504D+01
                91            92            93            94            95 
      1   0.251221D+01  0.237225D+01 -0.796560D+00  0.227562D+01  0.275602D+01
      2   0.237225D+01  0.322212D+01 -0.495741D+00  0.275602D+01  0.666772D+01
      3  -0.796560D+00 -0.495741D+00  0.905819D+00 -0.488774D+00 -0.147040D+01
                96            97            98            99           100 
      1  -0.488774D+00 -0.157795D+01 -0.990826D+00  0.107829D+01  0.503504D+00
      2  -0.147040D+01 -0.990826D+00 -0.270075D+01  0.159096D+01  0.307342D+00
      3   0.126837D+01  0.107829D+01  0.159096D+01 -0.590724D+00  0.118372D+01
               101           102           103           104           105 
      1   0.307342D+00  0.118372D+01  0.603998D-01  0.804268D+00  0.842896D-01
      2   0.710499D+00  0.359788D+00  0.804268D+00  0.707803D+00  0.821324D+00
      3   0.359788D+00  0.118635D+01  0.842896D-01  0.821324D+00  0.199600D+00
               106           107           108           109           110 
      1   0.220755D+01  0.960736D-01  0.160415D+01  0.389277D+00 -0.290108D+01
      2   0.960736D-01  0.164955D+01  0.182879D+01 -0.290108D+01 -0.356136D+01
      3   0.160415D+01  0.182879D+01  0.751901D+01  0.200601D+01 -0.120281D+00
               111           112           113           114           115 
      1   0.200601D+01 -0.308809D+01 -0.449997D+01 -0.110212D+00  0.244492D+01
      2  -0.120281D+00 -0.449997D+01  0.293633D+01  0.265715D+01 -0.284892D+00
      3  -0.626720D+00 -0.110212D+00  0.265715D+01  0.969194D+00 -0.139122D+01
               116           117           118           119           120 
      1  -0.284892D+00 -0.139122D+01  0.753346D+00 -0.281866D+00 -0.115023D+01
      2   0.255286D+01  0.113493D+01 -0.281866D+00 -0.231962D+00 -0.271117D-01
      3   0.113493D+01 -0.677920D+01 -0.115023D+01 -0.271117D-01  0.293501D+00
               121           122           123           124           125 
      1  -0.361404D+00 -0.243419D+00 -0.102681D-01 -0.181752D+01 -0.404964D-02
      2  -0.243419D+00  0.461722D+00 -0.903754D+00 -0.404964D-02 -0.132309D+01
      3  -0.102681D-01 -0.903754D+00  0.506255D+00  0.656764D+00  0.243672D+00
               126           127           128           129           130 
      1   0.656764D+00  0.146935D+00  0.180209D+00  0.751307D+00  0.151998D+00
      2   0.243672D+00  0.180209D+00  0.247845D+00 -0.140807D-01  0.766703D+00
      3  -0.945325D+01  0.751307D+00 -0.140807D-01  0.170933D+00 -0.972578D-01
               131           132           133           134           135 
      1   0.766703D+00 -0.972578D-01  0.262730D+01 -0.395273D+00  0.185588D+01
      2  -0.658149D+00  0.680805D+00 -0.395273D+00  0.129799D+01 -0.842251D+00
      3   0.680805D+00 -0.508668D+00  0.185588D+01 -0.842251D+00  0.764888D+01
               136           137           138           139           140 
      1   0.671449D+01  0.250163D+01 -0.110955D+01  0.499056D+01  0.284650D+01
      2   0.250163D+01  0.227004D+01 -0.419846D+00  0.284650D+01  0.272427D+01
      3  -0.110955D+01 -0.419846D+00  0.115168D+01 -0.526822D+00 -0.852550D+00
               141           142           143           144           145 
      1  -0.526822D+00 -0.213656D+01 -0.500907D+00  0.133035D+01  0.238789D+01
      2  -0.852550D+00 -0.500907D+00 -0.113121D+01  0.562487D+00 -0.161259D+01
      3   0.102250D+01  0.133035D+01  0.562487D+00 -0.366430D+00 -0.848193D+00
               146           147           148           149           150 
      1  -0.161259D+01 -0.848193D+00 -0.321348D+01  0.346090D+01  0.691474D+00
      2   0.210040D+01  0.516195D+00  0.346090D+01 -0.646102D+01 -0.170255D+01
      3   0.516195D+00  0.614378D+00  0.691474D+00 -0.170255D+01 -0.169814D+01
               151           152           153 
      1  -0.191221D+01  0.974072D+00  0.105706D+01
      2   0.974072D+00 -0.217555D+01 -0.143082D+01
      3   0.105706D+01 -0.143082D+01 -0.779682D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.188413D+01 -0.110380D+01  0.177469D+01 -0.201566D+00 -0.566176D+01
      2   0.120587D+01  0.229114D+01  0.527677D+00  0.261669D+01  0.309956D+01
      3   0.984521D+01 -0.439602D+00  0.125620D+01  0.645133D+01 -0.489769D+01
                 6             7             8             9            10 
      1  -0.809163D+00  0.149165D+01  0.585118D+01  0.789823D+01  0.598757D+00
      2  -0.928018D+00 -0.590026D+01 -0.265702D+01 -0.382126D+01 -0.360777D+01
      3  -0.127963D+01  0.108455D+01 -0.229095D+01 -0.230852D+01 -0.541022D+01
                11            12            13            14            15 
      1  -0.450926D+00 -0.734213D-01 -0.180313D+01  0.661472D+00 -0.198444D+01
      2   0.120112D+01  0.243528D+01  0.488825D+00 -0.115765D+01 -0.776917D+00
      3  -0.849226D+01 -0.193100D+00 -0.209171D+01  0.332490D+01  0.263771D+01
                16            17            18            19            20 
      1   0.616107D+00  0.438032D+01  0.765756D+00  0.422845D+01 -0.230996D+01
      2  -0.532668D+01  0.578391D+00  0.980162D+01  0.233619D+01 -0.187686D+01
      3  -0.100732D+01  0.261849D+01  0.139766D+01 -0.102451D+02  0.288379D+01
                21            22            23            24            25 
      1  -0.471740D+01 -0.209008D+01  0.240770D+01 -0.166640D+01 -0.141196D+01
      2  -0.192186D+01 -0.232848D+01  0.152026D+01  0.403155D+01 -0.649102D+01
      3  -0.165120D+01  0.709140D+01  0.330087D+01  0.951468D+00 -0.148713D+01
                26            27            28            29            30 
      1   0.968787D+01 -0.515304D+01 -0.548010D+01 -0.100187D+00  0.177426D+01
      2   0.581010D+01 -0.446462D+01 -0.214369D+01 -0.131645D+01 -0.808619D+01
      3   0.247527D+01 -0.749353D+00  0.336976D+01 -0.215198D+01  0.130829D+00
                31            32            33            34            35 
      1  -0.185841D+01 -0.622925D+00  0.438386D+01 -0.469095D+01  0.222772D+02
      2  -0.495604D+00 -0.636874D+00 -0.179959D+01 -0.147361D+02  0.399823D+01
      3   0.287088D+01 -0.472353D+00 -0.317473D+00 -0.146457D+00 -0.980123D+00
                36            37            38            39            40 
      1  -0.500346D+00  0.105508D+01  0.191318D+01  0.152470D+01  0.226810D+01
      2   0.492668D+00 -0.384389D-01  0.168833D+00  0.416764D+01 -0.466289D+00
      3  -0.169943D+00 -0.287043D+01  0.176320D+01 -0.732112D-01  0.802714D+01
                41            42            43            44            45 
      1   0.677762D+01  0.157980D+01 -0.433091D+01  0.713052D+01 -0.595254D+01
      2   0.266590D+00 -0.215123D+01 -0.464120D+01 -0.757565D+00 -0.102985D+00
      3   0.555148D+01 -0.179848D+01  0.141595D+01 -0.307643D+01  0.185170D+01
                46            47            48            49            50 
      1   0.117723D+01 -0.248652D+01  0.288354D+01 -0.208259D+01  0.347450D+00
      2   0.159899D+01 -0.882874D+00  0.289631D+01 -0.462647D+00  0.161089D+01
      3   0.946149D+00 -0.135540D+01 -0.905960D+00  0.181738D+01  0.559142D+00
                51            52            53            54            55 
      1  -0.308218D+01  0.309857D+01 -0.476257D+01  0.105288D+02 -0.239217D+01
      2  -0.224796D+01  0.316272D+00 -0.497752D+01  0.862559D+01 -0.196908D+01
      3  -0.921910D+00 -0.318784D+01 -0.311673D+01  0.661803D+00 -0.261026D+01
                56            57            58            59            60 
      1   0.431059D+01  0.343291D+01  0.268792D+01 -0.280271D+01 -0.390182D+01
      2   0.251904D+01  0.368217D+01  0.114113D+01 -0.290026D+01 -0.287208D+01
      3  -0.255312D+01  0.102236D+01  0.288463D+01  0.116282D+01  0.294330D+00
                61            62            63            64            65 
      1   0.355288D+01 -0.372066D+01 -0.456301D+01  0.268157D+01 -0.436258D+00
      2   0.134449D+01 -0.391992D+01 -0.368743D+01  0.510892D+00 -0.102789D-01
      3   0.294506D+01  0.175431D+01  0.115674D+00  0.238297D+01 -0.138164D+02
                66            67            68            69            70 
      1  -0.305539D+01  0.481570D+00  0.787040D+00 -0.353455D+01  0.182953D+01
      2   0.125292D+02  0.690158D+00  0.404791D+00  0.413414D+01  0.499365D+01
      3   0.332947D+00 -0.182457D+01 -0.746277D+01  0.339076D+00  0.952403D+00
                71            72            73            74            75 
      1  -0.499374D+01  0.579919D+00  0.874757D+00 -0.102343D+01 -0.482073D+00
      2  -0.505909D+00 -0.575819D+00  0.113360D+01 -0.461780D+00  0.538894D+00
      3   0.108557D+01 -0.830591D+00  0.551700D+00 -0.154011D+01  0.444250D+00
                76            77            78            79            80 
      1   0.127481D+01 -0.545846D+01 -0.555285D+01  0.639552D+00 -0.382472D+01
      2  -0.894670D-01 -0.639503D+00  0.248195D+00 -0.162605D+01 -0.146996D+00
      3   0.441353D+01 -0.310800D+00  0.132233D+00  0.251927D+01  0.282985D+00
                81            82            83            84            85 
      1  -0.388362D+01 -0.613580D+00  0.359961D+00  0.268734D+00  0.716389D-01
      2   0.283590D-01 -0.236100D+01  0.185345D+00  0.583930D+00  0.227743D+00
      3  -0.406483D+00 -0.167671D+01 -0.172925D+01 -0.632365D+00  0.125066D+01
                86            87            88            89            90 
      1   0.208498D+01 -0.386605D+01  0.351181D+01 -0.407623D+01  0.104960D+02
      2  -0.793943D-01  0.317776D+00 -0.206020D+01 -0.433596D+00 -0.346645D+00
      3  -0.903249D+00  0.598974D+00 -0.419841D+01  0.103162D+01 -0.155675D+01
                91            92            93            94            95 
      1   0.129312D+01  0.868923D+00 -0.227584D+01  0.115140D+01  0.265778D+01
      2  -0.954552D+00 -0.114821D+01  0.190861D+01 -0.911206D+00 -0.225101D+01
      3   0.300749D+01 -0.547716D+00 -0.921129D+00  0.460814D+01 -0.104184D+01
                96            97            98            99           100 
      1  -0.408645D+01 -0.160674D+01 -0.122917D+01  0.155672D+01 -0.135511D+01
      2   0.207444D+01  0.603584D-01  0.181649D+01 -0.125297D+01  0.118868D-01
      3   0.182890D+00 -0.275173D+01  0.129963D+01  0.592787D+00  0.284736D+00
               101           102           103           104           105 
      1   0.782451D+00 -0.183227D+01  0.331394D-01 -0.992180D+00 -0.147005D+01
      2   0.131422D-01  0.154777D+01 -0.235499D-01 -0.181214D+00  0.492235D-01
      3  -0.159536D+01  0.148178D+01  0.246568D+00  0.100870D+01 -0.317150D+00
               106           107           108           109           110 
      1  -0.254927D+01  0.771390D+00 -0.110518D+02 -0.197132D+00 -0.125110D+01
      2  -0.262532D+01  0.128850D+01  0.474065D+01  0.834812D+01 -0.329169D+00
      3   0.377034D+01 -0.163233D+01  0.149980D+01  0.894596D+01  0.102579D+02
               111           112           113           114           115 
      1  -0.239546D+00 -0.156720D+01  0.234680D+01 -0.464454D+00 -0.181254D+01
      2  -0.725303D+00 -0.288553D+00  0.823754D+01  0.250083D+01 -0.779228D+01
      3  -0.841427D+00  0.195905D+02 -0.681922D+01 -0.772911D+01 -0.334835D+00
               116           117           118           119           120 
      1   0.297249D+01 -0.325070D+01  0.108999D+00  0.429129D+00  0.283048D+00
      2   0.350762D+01 -0.175228D+02 -0.621915D+00 -0.435853D+00  0.110901D+01
      3  -0.765534D+01 -0.251045D+01  0.921432D+00 -0.420061D+00  0.193090D+00
               121           122           123           124           125 
      1   0.680853D+00 -0.641816D+00 -0.295929D+00 -0.178732D+00  0.355328D+01
      2   0.190333D+00 -0.129167D+01  0.362354D+00 -0.373834D+01  0.439191D+00
      3   0.225130D+01 -0.921103D+00  0.136878D+01 -0.130894D+00  0.188480D+01
               126           127           128           129           130 
      1  -0.904010D+00  0.584664D+00 -0.249595D-01  0.278675D+00  0.595149D-01
      2  -0.998865D+01  0.225412D+01 -0.245757D+00  0.190637D+01 -0.170798D+00
      3  -0.401414D+00 -0.414195D+00 -0.149818D+01 -0.262061D+00 -0.891433D+00
               131           132           133           134           135 
      1   0.347860D-01 -0.106564D+01  0.762950D+00  0.287912D+01  0.407635D+01
      2   0.142916D+01 -0.157133D+01  0.827060D+00 -0.207660D+01  0.212469D+02
      3   0.121844D+01 -0.146450D+01 -0.573486D+00 -0.376226D+01  0.151133D+01
               136           137           138           139           140 
      1   0.781916D-01 -0.458626D-02 -0.545317D+00  0.262084D-01 -0.389805D+00
      2  -0.323271D+01 -0.150152D+01  0.506377D+01 -0.154874D+01 -0.265072D+01
      3  -0.990297D+01 -0.101363D+02  0.187713D+01 -0.797920D+01 -0.103192D+02
               141           142           143           144           145 
      1  -0.126853D+01  0.401663D+00  0.109641D+01  0.148803D+00 -0.758622D+00
      2   0.429707D+01  0.243533D+01  0.164131D+01 -0.115853D+01 -0.229639D+01
      3   0.286929D+01  0.195780D+01  0.398718D+01 -0.191851D+01  0.281473D+01
               146           147           148           149           150 
      1   0.527510D+00  0.100070D+01  0.693684D+00 -0.129110D+01 -0.372495D+01
      2   0.158526D+01  0.264651D+01  0.143046D+01 -0.478049D+01 -0.566845D+01
      3  -0.650175D+01 -0.101339D+01 -0.499783D+01  0.170815D+02  0.462812D+01
               151           152           153 
      1   0.736122D+00 -0.120042D+00 -0.103627D+01
      2   0.124156D+01 -0.366438D+01 -0.218871D+01
      3  -0.827273D+00  0.609429D+01  0.322126D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.246674D+01  0.635810D+01  0.199050D+01  0.370377D+01 -0.362821D+01
      2  -0.212707D+01 -0.127677D+02  0.172558D+01 -0.108772D+02 -0.474984D+01
      3  -0.339675D+00  0.640961D+01 -0.371609D+01  0.717345D+01  0.837804D+01
      4   0.415584D+00 -0.999807D+01  0.183320D+01 -0.993199D+01 -0.111234D+02
      5   0.262725D+01  0.323586D+01 -0.258029D+01  0.302753D+01  0.394293D+01
      6   0.338664D+01  0.189706D+01 -0.499393D+01  0.279205D+01  0.109976D+02
                 6             7             8             9            10 
      1  -0.295941D+01  0.258511D+01 -0.272548D+01  0.588692D+01 -0.112337D+02
      2   0.799096D+01  0.342175D+01  0.103822D+02  0.233216D+01  0.366171D+01
      3  -0.503155D+01 -0.600686D+01 -0.765676D+01 -0.821908D+01  0.757196D+01
      4   0.424163D+01  0.220163D+01  0.729919D+01 -0.932876D+01  0.606427D+01
      5  -0.211011D+01 -0.299791D+01 -0.469857D+01 -0.100686D+02 -0.644420D+01
      6  -0.127583D+01 -0.658080D+01 -0.400144D+01 -0.149638D+02 -0.281880D+00
                11            12            13            14            15 
      1   0.532774D+01 -0.330748D+01  0.865357D+01  0.102604D+02  0.151016D+01
      2  -0.497002D+00  0.172890D+01 -0.328785D+01 -0.503424D+01 -0.185875D+01
      3  -0.483074D+01  0.157858D+01 -0.536572D+01 -0.522618D+01  0.348593D+00
      4   0.145335D+01  0.115386D+01  0.742349D+01 -0.425931D+01 -0.176749D+01
      5   0.166530D+01 -0.131479D+01  0.870990D+00 -0.213180D+01 -0.132190D+01
      6  -0.384765D+00  0.816951D+00 -0.124192D+01 -0.549036D+00  0.109813D+01
                16            17            18            19            20 
      1  -0.808579D+01  0.190824D+01  0.823935D+01  0.624692D-01 -0.476447D+01
      2   0.231919D+01 -0.267722D+01  0.884965D+01 -0.157513D+01  0.869462D+01
      3   0.576660D+01  0.768974D+00 -0.170890D+02  0.151266D+01 -0.393015D+01
      4   0.565156D+00 -0.265351D+01 -0.128545D+01  0.420240D+01 -0.134344D+02
      5   0.336888D+01 -0.126740D+01  0.221738D+02  0.303296D+01 -0.478817D+01
      6  -0.284212D+00  0.437793D+01 -0.380619D+00 -0.462997D+01  0.329178D+01
                21            22            23            24            25 
      1   0.222448D+01  0.388500D+01 -0.571494D+01 -0.108289D+01  0.118299D+00
      2   0.228275D+01  0.389651D+00  0.109735D+02 -0.268588D+01  0.315076D+01
      3  -0.450723D+01 -0.427465D+01 -0.525851D+01  0.376877D+01 -0.326906D+01
      4  -0.348234D+01 -0.190284D+01  0.899457D+01  0.173790D+01 -0.600399D+01
      5  -0.668467D+01 -0.436610D+01  0.222425D+01  0.762976D+01 -0.700174D+01
      6   0.811886D+01  0.379246D+01 -0.410516D+01 -0.452551D+01  0.858510D+01
                26            27            28            29            30 
      1  -0.528988D+01  0.741040D+01 -0.423368D+02 -0.718205D+01 -0.230402D+00
      2  -0.276799D+01 -0.412086D+01  0.229375D+02 -0.725487D+00 -0.670224D-01
      3   0.805787D+01 -0.328954D+01  0.193992D+02  0.790754D+01  0.297424D+00
      4  -0.582601D+00  0.161580D+02 -0.232640D+02 -0.152657D+02  0.118040D+01
      5   0.116392D+02 -0.686234D+01  0.188907D+01  0.141341D+01 -0.110283D+02
      6  -0.149047D+02  0.116913D+02 -0.131303D+01 -0.535017D+00 -0.339348D+01
                31            32            33            34            35 
      1  -0.176649D+02 -0.724697D+00  0.100751D+00  0.693984D+00  0.690714D+00
      2   0.113915D+02 -0.439207D+01 -0.652864D+00 -0.954536D+00  0.716519D+00
      3   0.627334D+01  0.511677D+01  0.552113D+00  0.260552D+00 -0.140723D+01
      4  -0.653180D+01 -0.145691D+01  0.346720D+00  0.199930D+01  0.114052D+01
      5   0.192710D+01  0.193280D-01 -0.280703D+01  0.302935D+01 -0.130189D+01
      6  -0.142294D+01  0.185988D+01 -0.366253D+01 -0.112493D+01  0.487431D+01
                36            37            38            39            40 
      1  -0.953066D+01  0.266200D+01 -0.370591D+00  0.239229D+01 -0.108063D+02
      2  -0.161020D+01  0.205109D+01 -0.250252D+01 -0.230422D+01  0.553676D+01
      3   0.111409D+02 -0.471309D+01  0.287311D+01 -0.880739D-01  0.526950D+01
      4  -0.354333D+01 -0.624669D+00  0.523944D+01 -0.368951D+00 -0.869490D+00
      5   0.156299D+01  0.269084D+00 -0.809861D+00  0.257182D+01 -0.284936D+00
      6  -0.644959D+00  0.170787D+01 -0.269276D+01  0.100684D+00 -0.146518D+01
                41            42            43            44            45 
      1   0.903062D+01  0.928709D+00  0.933319D+01 -0.988943D+00  0.135542D+02
      2  -0.105076D+02 -0.572947D+01 -0.476698D+01 -0.524904D+01 -0.835964D+01
      3   0.147702D+01  0.480077D+01 -0.456621D+01  0.623798D+01 -0.519454D+01
      4  -0.529656D+01 -0.129019D+01  0.229225D+01 -0.176525D+01  0.344351D+01
      5  -0.137065D+01 -0.172603D+01 -0.263990D+01  0.150592D+01 -0.371481D+01
      6  -0.107679D+02 -0.814383D+01  0.535262D+01 -0.145436D+02  0.104760D+02
                46            47            48            49            50 
      1   0.100220D+01  0.320398D+00  0.127596D+01  0.993868D+00 -0.696299D+01
      2  -0.112637D+01 -0.176161D+01 -0.179067D+01 -0.227299D+01  0.757379D+01
      3   0.124167D+00  0.144121D+01  0.514710D+00  0.127912D+01 -0.610797D+00
      4  -0.607848D+01  0.927127D+01 -0.524054D+01  0.525907D+01 -0.789716D+01
      5   0.563566D+01 -0.310625D+01  0.799660D+01 -0.112811D+01  0.392901D+01
      6  -0.457309D+01  0.307359D+01 -0.441498D+01  0.291679D+01 -0.755894D+01
                51            52            53            54            55 
      1   0.486650D+01  0.240442D+01  0.930292D+01 -0.122445D+02  0.804137D+01
      2  -0.414678D+01 -0.326147D+01 -0.584923D+01 -0.208282D+01 -0.358273D-01
      3  -0.719716D+00  0.857050D+00 -0.345369D+01  0.143274D+02 -0.800554D+01
      4   0.494192D+01 -0.737965D+01  0.100363D+02 -0.125596D+02 -0.167675D+02
      5  -0.414489D+01  0.898382D+01 -0.914626D+01  0.169768D+02 -0.840742D+01
      6   0.979414D+01 -0.691322D+01  0.160502D+02 -0.223697D+02  0.654615D+01
                56            57            58            59            60 
      1  -0.413391D+00 -0.220537D+01  0.641197D+00 -0.726448D+01 -0.229198D+01
      2  -0.622946D+01 -0.831902D-01 -0.598158D+01  0.147996D+02  0.486980D+01
      3   0.664285D+01  0.228856D+01  0.534039D+01 -0.753508D+01 -0.257783D+01
      4   0.186638D+02  0.728498D+01  0.126351D+02 -0.169756D+02 -0.646736D+01
      5   0.560638D+01  0.792753D+01  0.402303D+01 -0.625980D+01 -0.539069D+01
      6  -0.587751D+01 -0.602905D+01 -0.483237D+01  0.887480D+01  0.848935D+01
                61            62            63            64            65 
      1  -0.278352D+01 -0.360398D+01 -0.424475D+01  0.866899D+02  0.156999D+02
      2   0.179815D+00  0.702835D+01  0.196827D+01 -0.469959D+02 -0.398676D+01
      3   0.260370D+01 -0.342437D+01  0.227649D+01 -0.396939D+02 -0.117132D+02
      4   0.106302D+02 -0.109169D+02 -0.105812D+02  0.363580D+02  0.278940D+02
      5   0.883132D+01 -0.872788D+01 -0.883673D+01 -0.320218D+01 -0.117793D+01
      6  -0.733797D+01  0.123943D+02  0.959619D+01  0.153181D+01  0.412998D+00
                66            67            68            69            70 
      1  -0.130436D+01  0.171981D+02  0.101087D+02  0.125664D+00 -0.184406D+01
      2   0.118727D+01 -0.575232D+01  0.163340D+01 -0.205800D+00  0.197594D+01
      3   0.117092D+00 -0.114458D+02 -0.117421D+02  0.801352D-01 -0.131885D+00
      4  -0.638412D+00  0.288242D+02  0.202958D+02 -0.367629D+00 -0.619627D+00
      5   0.209321D+02 -0.102869D+01 -0.670468D+00  0.643477D+01  0.251046D+02
      6   0.520302D+01  0.576721D+00 -0.834422D+00  0.636638D+01  0.570859D+01
                71            72            73            74            75 
      1   0.181847D+00  0.126371D+02  0.301121D+00 -0.183794D+01 -0.705201D+00
      2  -0.117606D+00 -0.103949D+02  0.136765D+01  0.316431D+01  0.655652D+00
      3  -0.642410D-01 -0.224221D+01 -0.166877D+01 -0.132637D+01  0.495485D-01
      4  -0.310521D+00  0.892078D+01  0.167713D+01  0.837691D+01  0.248966D+01
      5   0.741148D+01 -0.230198D+01  0.679979D+00  0.163566D+01  0.243462D+01
      6   0.731770D+01 -0.133217D+00  0.246920D+01  0.137537D+01  0.535472D+00
                76            77            78            79            80 
      1   0.190362D+01 -0.232639D+02 -0.714759D+01 -0.105728D+01 -0.100661D+02
      2  -0.844568D+00  0.334078D+02  0.899770D+01  0.626484D+00  0.117487D+02
      3  -0.105905D+01 -0.101439D+02 -0.185011D+01  0.430791D+00 -0.168258D+01
      4   0.594321D+01  0.169778D+01  0.816036D+00  0.360725D+01  0.112612D+01
      5   0.129904D+01  0.126329D+01  0.725205D+00  0.219611D+01  0.761618D+00
      6   0.189402D+00  0.149951D+02  0.111256D+02 -0.943406D+00  0.141575D+02
                81            82            83            84            85 
      1  -0.976747D+01  0.313106D-01 -0.149642D+00 -0.784288D+00  0.225803D+01
      2   0.637198D+01 -0.154373D+01 -0.236069D+00  0.188537D+00 -0.231345D+01
      3   0.339548D+01  0.151241D+01  0.385711D+00  0.595751D+00  0.554183D-01
      4   0.812679D-01 -0.256452D+01  0.341259D+01 -0.337479D+01  0.226637D+01
      5   0.109241D+01  0.737073D+00 -0.194946D+01  0.443329D+01 -0.786542D+00
      6   0.979274D+01 -0.316700D+01  0.872917D+00 -0.157789D+01  0.103675D+01
                86            87            88            89            90 
      1  -0.101773D+02  0.538981D+01 -0.281855D+01  0.105842D+02 -0.177186D+02
      2   0.979681D+01 -0.389384D+01  0.302190D+00 -0.630862D+01  0.126249D+01
      3   0.380497D+00 -0.149596D+01  0.251636D+01 -0.427559D+01  0.164561D+02
      4  -0.164751D+01  0.911129D+00 -0.552266D+01  0.123063D+01 -0.226332D+01
      5   0.960942D+00 -0.618993D-01  0.438918D+01 -0.122198D+01  0.189960D+01
      6  -0.668936D+01  0.933357D+01 -0.412910D+01  0.143343D+02 -0.201002D+02
                91            92            93            94            95 
      1   0.171527D+01 -0.295415D+01 -0.409596D+00 -0.257668D+01 -0.149757D+02
      2   0.551208D+01  0.109303D+02 -0.142074D+01  0.990243D+01  0.317087D+02
      3  -0.722735D+01 -0.797612D+01  0.183033D+01 -0.732575D+01 -0.167330D+02
      4   0.126981D+02  0.160959D+02 -0.372337D+01  0.151209D+02  0.208864D+02
      5  -0.325887D+01 -0.222713D+01  0.352502D+01 -0.208384D+01 -0.377734D+01
      6  -0.376537D+01 -0.324067D+01  0.388771D+01 -0.307908D+01 -0.867568D+01
                96            97            98            99           100 
      1   0.307845D+01 -0.700516D+00  0.570319D+01 -0.430640D+01  0.560746D+00
      2  -0.622149D+01 -0.185805D+01 -0.100691D+02  0.354532D+01 -0.242107D+01
      3   0.314304D+01  0.255857D+01  0.436590D+01  0.761084D+00  0.186033D+01
      4  -0.457562D+01 -0.643553D+01 -0.804622D+01  0.582165D+01  0.253302D+01
      5   0.303060D+01  0.396320D+01  0.413116D+01 -0.270268D+01  0.394966D+01
      6   0.752337D+01  0.497971D+01  0.926653D+01 -0.506551D+01  0.306125D+01
               101           102           103           104           105 
      1  -0.972526D+00  0.395371D+00 -0.186903D+01 -0.310111D+01 -0.269437D+01
      2   0.217861D+01 -0.222055D+01  0.294624D+01  0.271924D+01  0.242427D+01
      3  -0.120608D+01  0.182518D+01 -0.107721D+01  0.381872D+00  0.270096D+00
      4   0.457159D+01  0.326783D+01  0.301888D+01  0.304607D+01  0.147231D+01
      5   0.118911D+01  0.730835D+01 -0.281685D+00  0.124666D+01  0.647033D-01
      6   0.142610D+01  0.304888D+01  0.879778D+00  0.294666D+01  0.601796D+01
               106           107           108           109           110 
      1   0.764010D+00 -0.584910D+01 -0.145272D+02  0.977674D+00 -0.186671D+02
      2  -0.351874D+01  0.345643D+01 -0.763610D+01 -0.173016D+01  0.130026D+02
      3   0.275473D+01  0.239267D+01  0.221633D+02  0.752490D+00  0.566446D+01
      4   0.518173D+01  0.383415D+01  0.703971D+01 -0.186970D+02 -0.191036D+02
      5   0.708481D+01  0.344846D+01  0.124725D+02  0.152225D+02 -0.986005D+00
      6   0.532788D+01  0.971133D+01  0.216307D+02 -0.198648D+01  0.246089D+01
               111           112           113           114           115 
      1   0.108060D+02 -0.240365D+02 -0.185571D+02  0.212485D+01  0.142492D+02
      2  -0.425728D+01  0.172941D+02  0.295180D+01 -0.487453D+01 -0.322921D+01
      3  -0.654869D+01  0.674241D+01  0.156053D+02  0.274969D+01 -0.110200D+02
      4  -0.109149D+01 -0.269206D+02  0.164007D+02  0.148430D+02 -0.147417D+01
      5  -0.316729D+01 -0.915524D+00  0.160307D+02  0.452409D+01 -0.671080D+01
      6   0.545589D+00  0.339548D+01 -0.489204D+01 -0.191466D+01  0.177633D+01
               116           117           118           119           120 
      1   0.134577D+01  0.162950D+01  0.331172D+01 -0.103680D+01 -0.275381D+01
      2  -0.490206D+01  0.478739D+01 -0.508672D+01  0.392477D+00  0.140782D+01
      3   0.355628D+01 -0.641689D+01  0.177500D+01  0.644319D+00  0.134599D+01
      4   0.146783D+02  0.519191D+01 -0.955450D+00  0.170024D+01 -0.604664D-01
      5   0.556451D+01 -0.313486D+02 -0.254781D+01 -0.442319D+00  0.763822D+01
      6  -0.280452D+01  0.668995D+01 -0.175482D+00 -0.191505D+00  0.285186D-02
               121           122           123           124           125 
      1  -0.451536D+00 -0.476555D+01  0.847283D+00 -0.422135D+01  0.130023D+01
      2  -0.385324D-01  0.759326D+00  0.574834D+00  0.455046D+01 -0.124002D+00
      3   0.490068D+00  0.400622D+01 -0.142212D+01 -0.329119D+00 -0.117623D+01
      4   0.154623D+01  0.100747D+01 -0.194516D+01  0.862658D+00 -0.230544D+01
      5  -0.536845D+00 -0.248648D+01  0.113691D+01  0.674795D+01  0.580763D+00
      6  -0.359057D+00 -0.422318D+00  0.738826D+01 -0.808119D-01  0.446037D+01
               126           127           128           129           130 
      1  -0.188203D+02  0.230765D+01  0.120886D+01  0.471791D+01  0.177264D+01
      2  -0.173645D+02 -0.303670D+01 -0.795726D+00 -0.301008D+01 -0.156952D+01
      3   0.361847D+02  0.729045D+00 -0.413133D+00 -0.170783D+01 -0.203112D+00
      4   0.123702D+01  0.955882D+00  0.302643D+01 -0.126115D+01  0.576982D+01
      5  -0.211289D+02  0.399060D+01 -0.688430D+00  0.680637D+01 -0.709049D+00
      6  -0.445125D-01 -0.105508D+01 -0.504752D+00 -0.569247D+00  0.714241D+00
               131           132           133           134           135 
      1   0.855054D+00  0.534351D+00  0.116723D+02  0.285950D+00 -0.516130D+01
      2  -0.693573D-01 -0.161674D+00 -0.934532D+01 -0.890022D-01 -0.128952D+02
      3  -0.785697D+00 -0.372677D+00 -0.232701D+01 -0.196947D+00  0.180565D+02
      4  -0.357724D+01  0.298169D+01 -0.369760D+01  0.664248D+01 -0.401541D+01
      5   0.279221D+01 -0.296792D+01  0.145920D+02 -0.441041D+01  0.401085D+02
      6  -0.117216D+01  0.527251D+01 -0.220309D+01  0.600143D+01 -0.914362D+01
               136           137           138           139           140 
      1   0.460635D+02  0.171151D+02 -0.726945D+01  0.295857D+02  0.139355D+02
      2  -0.241699D+02 -0.924673D+01  0.417095D+01 -0.150908D+02 -0.399802D+01
      3  -0.218936D+02 -0.786841D+01  0.309850D+01 -0.144949D+02 -0.993744D+01
      4   0.165534D+02  0.165906D+02 -0.277945D+01  0.203811D+02  0.183412D+02
      5  -0.823165D+01 -0.304752D+01  0.935723D+01 -0.440666D+01 -0.540068D+01
      6  -0.167467D+00 -0.232347D-01  0.246771D+00 -0.693307D+00 -0.390552D+00
               141           142           143           144           145 
      1  -0.337663D+01 -0.120274D+02 -0.282635D+01  0.538073D+01  0.139642D+02
      2   0.232431D+01  0.689528D+01  0.233013D+01 -0.499094D+01 -0.397513D+01
      3   0.105232D+01  0.513209D+01  0.496219D+00 -0.389787D+00 -0.998906D+01
      4  -0.537727D+01 -0.360326D+01 -0.682599D+01  0.374325D+01 -0.123870D+02
      5   0.761850D+01  0.106761D+02  0.432744D+01 -0.379429D+01 -0.559328D+01
      6   0.213757D+01  0.113219D+01  0.259808D+01 -0.181470D+01  0.241192D+01
               146           147           148           149           150 
      1  -0.752242D+01 -0.436787D+01 -0.132702D+02  0.444781D+01  0.372934D+00
      2   0.306591D+00  0.157397D+01  0.727199D+00  0.134233D+02  0.259604D+01
      3   0.721583D+01  0.279390D+01  0.125430D+02 -0.178711D+02 -0.296897D+01
      4   0.172526D+02  0.432115D+01  0.254089D+02 -0.383169D+02 -0.101531D+02
      5   0.398748D+01  0.546406D+01  0.538030D+01 -0.103121D+02 -0.106341D+02
      6  -0.136050D+01 -0.152821D+01 -0.285133D+01  0.589366D+01  0.659540D+01
               151           152           153 
      1  -0.851449D+01  0.373360D+00  0.503099D+00
      2   0.328011D+01  0.281808D+01 -0.742099D+00
      3   0.523439D+01 -0.319144D+01  0.238999D+00
      4   0.739628D+01 -0.125813D+02 -0.806003D+01
      5   0.782360D+01 -0.847677D+01 -0.517909D+01
      6  -0.314553D+01  0.645718D+01  0.429404D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 19:42:49 2021, MaxMem=  5637144576 cpu:           12458.5 elap:            1570.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.92953 -10.15067 -10.07682 -10.06689 -10.06660
 Alpha  occ. eigenvalues --  -10.06487 -10.05651  -1.15117  -0.97543  -0.87394
 Alpha  occ. eigenvalues --   -0.83690  -0.77194  -0.69538  -0.64993  -0.61593
 Alpha  occ. eigenvalues --   -0.57763  -0.55498  -0.54385  -0.52602  -0.51961
 Alpha  occ. eigenvalues --   -0.49247  -0.48294  -0.45720  -0.44486  -0.43744
 Alpha  occ. eigenvalues --   -0.42905  -0.34381
 Alpha virt. eigenvalues --    0.02852   0.03772   0.03983   0.04465   0.05667
 Alpha virt. eigenvalues --    0.06208   0.06314   0.06459   0.07187   0.07338
 Alpha virt. eigenvalues --    0.09044   0.10570   0.11552   0.13265   0.13410
 Alpha virt. eigenvalues --    0.14069   0.14266   0.14351   0.14709   0.14820
 Alpha virt. eigenvalues --    0.15083   0.15990   0.16659   0.17493   0.18112
 Alpha virt. eigenvalues --    0.18299   0.18742   0.19409   0.19702   0.20176
 Alpha virt. eigenvalues --    0.20499   0.22434   0.22855   0.24281   0.24594
 Alpha virt. eigenvalues --    0.25667   0.26641   0.28206   0.28578   0.29514
 Alpha virt. eigenvalues --    0.30479   0.31448   0.32191   0.32693   0.33414
 Alpha virt. eigenvalues --    0.33892   0.34661   0.35540   0.36125   0.36901
 Alpha virt. eigenvalues --    0.38263   0.38662   0.40389   0.40736   0.41676
 Alpha virt. eigenvalues --    0.42015   0.42560   0.42916   0.43645   0.44270
 Alpha virt. eigenvalues --    0.44969   0.45359   0.46294   0.47095   0.47557
 Alpha virt. eigenvalues --    0.48178   0.49602   0.50400   0.50977   0.52198
 Alpha virt. eigenvalues --    0.53248   0.53378   0.54835   0.56481   0.57150
 Alpha virt. eigenvalues --    0.57820   0.58033   0.59596   0.59727   0.60199
 Alpha virt. eigenvalues --    0.61412   0.62679   0.63045   0.64238   0.65338
 Alpha virt. eigenvalues --    0.66396   0.67825   0.68546   0.69600   0.70383
 Alpha virt. eigenvalues --    0.71308   0.72268   0.72577   0.73745   0.74165
 Alpha virt. eigenvalues --    0.75202   0.76014   0.76943   0.77788   0.78433
 Alpha virt. eigenvalues --    0.79165   0.79266   0.82054   0.82453   0.83337
 Alpha virt. eigenvalues --    0.83650   0.85071   0.85603   0.86218   0.88201
 Alpha virt. eigenvalues --    0.89824   0.92149   0.93178   0.93613   0.94501
 Alpha virt. eigenvalues --    0.96120   0.98694   1.00503   1.01128   1.01717
 Alpha virt. eigenvalues --    1.05632   1.06136   1.09786   1.12812   1.15237
 Alpha virt. eigenvalues --    1.15625   1.17092   1.18373   1.19903   1.22570
 Alpha virt. eigenvalues --    1.23813   1.24421   1.27734   1.29169   1.30965
 Alpha virt. eigenvalues --    1.32073   1.33699   1.35785   1.37510   1.42371
 Alpha virt. eigenvalues --    1.46481   1.48934   1.49615   1.53069   1.53837
 Alpha virt. eigenvalues --    1.56589   1.57465   1.61282   1.62301   1.65734
 Alpha virt. eigenvalues --    1.66391   1.67177   1.68156   1.68888   1.72184
 Alpha virt. eigenvalues --    1.73274   1.74567   1.77454   1.78796   1.80842
 Alpha virt. eigenvalues --    1.83052   1.85079   1.86082   1.86801   1.89427
 Alpha virt. eigenvalues --    1.90956   1.92155   1.93398   1.93975   1.95839
 Alpha virt. eigenvalues --    1.97489   1.99803   2.02494   2.03703   2.08329
 Alpha virt. eigenvalues --    2.08673   2.09740   2.12410   2.13961   2.14216
 Alpha virt. eigenvalues --    2.15963   2.18029   2.20746   2.22632   2.26008
 Alpha virt. eigenvalues --    2.26418   2.29076   2.29586   2.31622   2.34702
 Alpha virt. eigenvalues --    2.37349   2.38134   2.42140   2.43849   2.48773
 Alpha virt. eigenvalues --    2.49835   2.52193   2.53912   2.56117   2.58363
 Alpha virt. eigenvalues --    2.61443   2.64425   2.66074   2.67293   2.68993
 Alpha virt. eigenvalues --    2.70276   2.74962   2.81096   2.83102   2.90878
 Alpha virt. eigenvalues --    2.91367   2.92894   2.99447   3.03661   3.07610
 Alpha virt. eigenvalues --    3.09428   3.15888   3.42160   3.50595   3.51079
 Alpha virt. eigenvalues --    3.56043   3.66766   3.79856   3.91917
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.737396  -0.422903   0.221499  -0.051203  -0.406925   0.130847
     2  C   -0.422903   7.297438  -0.145345   0.016087  -0.046482  -0.034507
     3  C    0.221499  -0.145345   5.376943  -0.148469  -0.111053   0.080829
     4  C   -0.051203   0.016087  -0.148469   6.748844  -0.452361  -0.055035
     5  C   -0.406925  -0.046482  -0.111053  -0.452361   5.990471  -0.009966
     6  H    0.130847  -0.034507   0.080829  -0.055035  -0.009966   1.348865
     7  H    0.024346   0.008973  -0.030856   0.012584   0.082917  -0.234780
     8  O   -0.016404  -0.026979  -0.006904   0.101815   0.025830   0.009514
     9  H    0.100965   0.096144   0.031480  -0.027183  -0.211956  -0.000480
    10  H   -0.102298   0.038912   0.055302  -0.108288   0.209412  -0.005216
    11  H   -0.428845   0.249159   0.127454  -0.031313   0.106592  -0.194333
    12  H    0.023850  -0.045557  -0.010444  -0.043718  -0.023698   0.106795
    13  C   -0.074414   0.244358   0.014310  -0.022439  -0.178898   0.012142
    14  H    0.210737  -1.024228   0.011474  -0.089698   0.257909   0.033332
    15  H   -0.019920  -0.303620  -0.003127   0.014558  -0.013567   0.002049
    16  H    0.007807   0.192355   0.010473  -0.006461  -0.034995  -0.000028
    17  H   -0.021706   0.249409  -0.011140   0.023935  -0.045708  -0.000918
               7          8          9         10         11         12
     1  C    0.024346  -0.016404   0.100965  -0.102298  -0.428845   0.023850
     2  C    0.008973  -0.026979   0.096144   0.038912   0.249159  -0.045557
     3  C   -0.030856  -0.006904   0.031480   0.055302   0.127454  -0.010444
     4  C    0.012584   0.101815  -0.027183  -0.108288  -0.031313  -0.043718
     5  C    0.082917   0.025830  -0.211956   0.209412   0.106592  -0.023698
     6  H   -0.234780   0.009514  -0.000480  -0.005216  -0.194333   0.106795
     7  H    1.518393  -0.001262   0.001997   0.002587   0.018415  -0.170287
     8  O   -0.001262   8.407492  -0.013207   0.018637   0.003860   0.000906
     9  H    0.001997  -0.013207   1.695531  -0.245678   0.002154   0.005106
    10  H    0.002587   0.018637  -0.245678   1.367715   0.008831   0.019673
    11  H    0.018415   0.003860   0.002154   0.008831   2.012416  -0.377923
    12  H   -0.170287   0.000906   0.005106   0.019673  -0.377923   1.964498
    13  C    0.000933   0.004292   0.047211  -0.135273   0.009294  -0.149356
    14  H   -0.005199   0.006661  -0.164363   0.088760  -0.140543   0.096562
    15  H   -0.003010  -0.000023  -0.006379  -0.000208  -0.002552   0.001316
    16  H    0.000762  -0.000113   0.005683  -0.001906  -0.008871  -0.030249
    17  H    0.001056  -0.000855  -0.004275  -0.025866   0.002415   0.001327
              13         14         15         16         17
     1  C   -0.074414   0.210737  -0.019920   0.007807  -0.021706
     2  C    0.244358  -1.024228  -0.303620   0.192355   0.249409
     3  C    0.014310   0.011474  -0.003127   0.010473  -0.011140
     4  C   -0.022439  -0.089698   0.014558  -0.006461   0.023935
     5  C   -0.178898   0.257909  -0.013567  -0.034995  -0.045708
     6  H    0.012142   0.033332   0.002049  -0.000028  -0.000918
     7  H    0.000933  -0.005199  -0.003010   0.000762   0.001056
     8  O    0.004292   0.006661  -0.000023  -0.000113  -0.000855
     9  H    0.047211  -0.164363  -0.006379   0.005683  -0.004275
    10  H   -0.135273   0.088760  -0.000208  -0.001906  -0.025866
    11  H    0.009294  -0.140543  -0.002552  -0.008871   0.002415
    12  H   -0.149356   0.096562   0.001316  -0.030249   0.001327
    13  C    4.753792  -0.130217   0.521017   0.123811   0.097676
    14  H   -0.130217   2.412166   0.078396  -0.068450  -0.049851
    15  H    0.521017   0.078396   1.532206  -0.307154  -0.320790
    16  H    0.123811  -0.068450  -0.307154   1.595031  -0.344920
    17  H    0.097676  -0.049851  -0.320790  -0.344920   1.596108
 Mulliken charges:
               1
     1  C    1.087172
     2  C   -0.343214
     3  C    0.537574
     4  C    0.118345
     5  C    0.862476
     6  H   -0.189112
     7  H   -0.227569
     8  O   -0.513260
     9  H   -0.312751
    10  H   -0.185096
    11  H   -0.356212
    12  H   -0.368802
    13  C    0.861762
    14  H   -0.523450
    15  H   -0.169193
    16  H   -0.132774
    17  H   -0.145897
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.362158
     2  C   -0.866663
     3  C    0.120894
     4  C    0.118345
     5  C    0.364629
     8  O   -0.513260
    13  C    0.413898
 Electronic spatial extent (au):  <R**2>=            818.5193
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.1144    Y=              1.1849    Z=             -0.2014  Tot=              3.3383
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -53.3858   YY=            -42.9715   ZZ=            -41.9966
   XY=             -3.7787   XZ=              0.0932   YZ=             -0.0012
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.2678   YY=              3.1465   ZZ=              4.1214
   XY=             -3.7787   XZ=              0.0932   YZ=             -0.0012
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             21.1417  YYY=             -1.2234  ZZZ=              0.4714  XYY=             -0.1404
  XXY=              9.6975  XXZ=             -1.5484  XZZ=             -3.5032  YZZ=             -0.4728
  YYZ=             -1.5376  XYZ=             -0.7303
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -794.9375 YYYY=           -293.7329 ZZZZ=            -85.8477 XXXY=            -15.2428
 XXXZ=             -3.2793 YYYX=             -0.5764 YYYZ=              1.7792 ZZZX=              1.3304
 ZZZY=             -1.5390 XXYY=           -171.7107 XXZZ=           -131.8889 YYZZ=            -60.9803
 XXYZ=              1.1200 YYXZ=             -2.7231 ZZXY=              0.0214
 N-N= 3.061006696928D+02 E-N=-1.331935660635D+03  KE= 3.073189066937D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 19:42:51 2021, MaxMem=  5637144576 cpu:               6.9 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.16987960D+00 4.47327229D-01-7.97472953D-02
 Polarizability= 8.20998665D+01-1.97653910D-01 7.14869907D+01
                 2.18277203D-01-4.09231922D-01 5.84645547D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.1741   -0.1742        0.0597    0.0597
 2      0.1741    0.1742        0.2449    0.2449       -5.8461   -5.8468
 3     -0.0597   -0.0597       12.9089   12.9103       -0.2448   -0.2449
 4     -0.2449   -0.2449        0.0000    0.0000       -0.0597   -0.0597
 5     -7.0629   -7.0635        0.0597    0.0597       -0.1746   -0.1742
 6      0.2448    0.2449        0.1746    0.1742       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.5227    0.5227        0.1790    0.1790
 2     -0.7348   -0.7348       -0.0000    0.0000        0.1790    0.1790
 3     -0.7348   -0.7348        0.5227    0.5227        0.0000    0.0000
 4      0.5227    0.5227        0.7348    0.7348      -17.5404  -17.5404
 5     -0.1790   -0.1790       38.7310   38.7310       -0.7348   -0.7348
 6    -21.1906  -21.1906        0.1790    0.1790       -0.5227   -0.5227
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0035    0.0000        0.6934    0.6970       -0.2642   -0.2387
 2     -0.6980   -0.6970       -0.9742   -0.9798       23.3792   23.3871
 3      0.2292    0.2387      -51.6428  -51.6413        0.9752    0.9798
 4      0.9810    0.9798        0.0021    0.0000        0.2372    0.2387
 5     28.2606   28.2542       -0.2376   -0.2387        0.6980    0.6970
 6     -0.9789   -0.9798       -0.7066   -0.6970       -0.0040    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0390    0.0000        2.3728    2.3554       -0.0034   -0.0058
 2     -2.3736   -2.3554        7.4503    7.4423       -4.1122   -4.1001
 3     -0.0011    0.0058        2.1532    2.1073       -7.4547   -7.4423
 4     -7.4257   -7.4423        0.0009    0.0000        0.0034    0.0058
 5      1.9767    1.9928       -0.0097   -0.0058        2.3544    2.3554
 6      7.4354    7.4423       -2.3600   -2.3554       -0.0021    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -2.1834   -2.1947       20.3684   20.3513        7.0942    7.0986
 2    -19.7467  -19.7650       22.2442   22.2210        7.0976    7.0986
 3    -19.7474  -19.7650       20.3820   20.3513        3.9202    3.9163
 4     -1.8709   -1.8697       17.5363   17.5703       -9.7134   -9.6941
 5     -3.1526   -3.1823        0.6851    0.6450      -17.5811  -17.5703
 6      9.0583    9.0491        3.1934    3.1823        1.8588    1.8697
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.9418   -0.0005   -0.0004    0.0005    4.6992   10.1764
 Low frequencies ---   85.9645  172.0819  241.6185
 Diagonal vibrational polarizability:
        3.5032084       3.8653291      21.0127098
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     85.9637               172.0815               241.6185
 Red. masses --      2.9598                 1.9348                 1.0574
 Frc consts  --      0.0129                 0.0338                 0.0364
 IR Inten    --      5.5435                 0.2528                 0.0665
 RamAct Fr= 1--      0.4147                 0.2536                 0.0452
  Dep-P Fr= 1--      0.7351                 0.6281                 0.6361
  Dep-U Fr= 1--      0.8473                 0.7716                 0.7776
 Alpha2 Fr= 1--      0.0001                 0.0006                 0.0001
 Beta2  Fr= 1--      0.0586                 0.0326                 0.0059
 AlphaG Fr= 1--     -0.0008                -0.0037                 0.0000
 Gamma2 Fr= 1--     -0.1306                -0.1885                -0.0559
 Delta2 Fr= 1--      0.1198                -0.0604                 0.0437
 Raman1 Fr= 1--       1.659                  1.014                  0.181
 ROA1   Fr= 1--      -8.705                -20.028                 -3.970
 CID1   Fr= 1--      -5.247                -19.744                -21.978
 Raman2 Fr= 1--       0.703                  0.391                  0.070
 ROA2   Fr= 1--      -4.093                 -4.041                 -1.692
 CID2   Fr= 1--      -5.823                -10.325                -24.089
 Raman3 Fr= 1--       1.406                  0.783                  0.140
 ROA3   Fr= 1--      -8.705                -20.028                 -3.970
 CID3   Fr= 1--      -6.193                -25.588                -28.263
 RC180  Fr= 1--       0.695                  0.543                  0.555
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.02    -0.03  -0.04   0.17    -0.01   0.01   0.03
     2   6     0.04   0.03  -0.03    -0.02   0.02   0.06     0.00   0.03   0.00
     3   6     0.00  -0.01  -0.13     0.02  -0.01  -0.15    -0.01   0.00  -0.00
     4   6     0.00   0.00  -0.03    -0.01   0.01  -0.02     0.00  -0.00  -0.01
     5   6    -0.00  -0.02  -0.24     0.00   0.01   0.08     0.01   0.01  -0.03
     6   1     0.13  -0.11  -0.19     0.30  -0.17  -0.28     0.02   0.00  -0.01
     7   1    -0.07   0.07  -0.25    -0.14   0.12  -0.40    -0.03   0.00  -0.02
     8   8     0.01   0.01   0.24    -0.01   0.02   0.02     0.01  -0.02   0.00
     9   1    -0.04   0.14  -0.46     0.04  -0.03   0.12     0.02   0.04  -0.06
    10   1    -0.02  -0.29  -0.34    -0.02   0.07   0.10     0.01  -0.03  -0.04
    11   1     0.02   0.03   0.13     0.08   0.02   0.38    -0.01   0.04   0.08
    12   1    -0.14  -0.08   0.05    -0.25  -0.20   0.22    -0.04  -0.03   0.04
    13   6    -0.03  -0.00   0.13     0.04   0.00  -0.13    -0.01  -0.02  -0.00
    14   1     0.18   0.13  -0.02    -0.12   0.10   0.07     0.01   0.04   0.00
    15   1    -0.18  -0.11   0.13     0.18  -0.10  -0.14     0.12   0.51   0.03
    16   1     0.01   0.03   0.31    -0.01   0.05  -0.15     0.12  -0.34  -0.47
    17   1     0.04   0.04   0.09     0.01   0.05  -0.26    -0.28  -0.30   0.43
                      4                      5                      6
                      A                      A                      A
 Frequencies --    281.8158               413.1140               461.5819
 Red. masses --      2.5876                 1.8208                 2.2680
 Frc consts  --      0.1211                 0.1831                 0.2847
 IR Inten    --      1.0650                 0.5374                 0.5640
 RamAct Fr= 1--      0.4144                 0.8386                 2.2752
  Dep-P Fr= 1--      0.7269                 0.1337                 0.3226
  Dep-U Fr= 1--      0.8418                 0.2358                 0.4878
 Alpha2 Fr= 1--      0.0002                 0.0135                 0.0218
 Beta2  Fr= 1--      0.0581                 0.0330                 0.1850
 AlphaG Fr= 1--     -0.0019                 0.0066                 0.0275
 Gamma2 Fr= 1--     -0.1728                -0.1900                 0.8146
 Delta2 Fr= 1--      0.0327                -0.0526                -0.3993
 Raman1 Fr= 1--       1.658                  3.354                  9.101
 ROA1   Fr= 1--     -15.542                -19.925                 65.422
 CID1   Fr= 1--      -9.375                 -5.940                  7.189
 Raman2 Fr= 1--       0.698                  0.395                  2.220
 ROA2   Fr= 1--      -4.409                 -4.140                 22.745
 CID2   Fr= 1--      -6.318                -10.468                 10.246
 Raman3 Fr= 1--       1.395                  0.791                  4.440
 ROA3   Fr= 1--     -15.542                -19.925                 65.422
 CID3   Fr= 1--     -11.137                -25.190                 14.736
 RC180  Fr= 1--       0.684                 -0.528                 -0.024
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.13   0.01    -0.02   0.10  -0.03     0.03   0.03   0.00
     2   6    -0.01  -0.12  -0.00     0.03   0.01   0.17    -0.08   0.02  -0.04
     3   6     0.05  -0.04   0.02    -0.03  -0.03  -0.00     0.07  -0.01   0.01
     4   6    -0.03  -0.01  -0.00    -0.02  -0.02   0.04     0.06   0.00   0.23
     5   6    -0.05  -0.12  -0.03    -0.01  -0.05  -0.02     0.00  -0.05   0.01
     6   1     0.05  -0.00   0.03    -0.07  -0.12  -0.03     0.21  -0.43  -0.17
     7   1     0.08  -0.03   0.05    -0.07  -0.01  -0.05    -0.01   0.29  -0.32
     8   8    -0.08   0.12  -0.01    -0.05   0.04  -0.02     0.05  -0.01  -0.10
     9   1    -0.11  -0.06  -0.10    -0.01   0.16  -0.33    -0.18   0.15  -0.25
    10   1    -0.08  -0.21  -0.06    -0.09  -0.42  -0.13     0.23  -0.37  -0.13
    11   1     0.09  -0.14   0.04    -0.11   0.00  -0.31     0.04  -0.00  -0.04
    12   1     0.04  -0.18   0.01     0.03   0.44  -0.06     0.09   0.03  -0.01
    13   6     0.08   0.22   0.01     0.11  -0.04  -0.03    -0.14   0.04  -0.01
    14   1    -0.01  -0.14  -0.00     0.03   0.01   0.17    -0.13   0.03  -0.04
    15   1     0.17   0.52   0.03     0.37  -0.13  -0.04    -0.24   0.06  -0.00
    16   1    -0.14   0.35  -0.22     0.07  -0.05  -0.16    -0.12   0.04   0.05
    17   1     0.32   0.21   0.23    -0.01  -0.02  -0.19    -0.10   0.03   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    489.2637               539.5868               585.8708
 Red. masses --      3.5448                 3.7346                 2.7715
 Frc consts  --      0.4999                 0.6406                 0.5605
 IR Inten    --      7.6932                 4.0311                 3.5677
 RamAct Fr= 1--      1.5052                 5.8519                 1.7132
  Dep-P Fr= 1--      0.7403                 0.1638                 0.6638
  Dep-U Fr= 1--      0.8508                 0.2815                 0.7979
 Alpha2 Fr= 1--      0.0002                 0.0873                 0.0026
 Beta2  Fr= 1--      0.2134                 0.2745                 0.2278
 AlphaG Fr= 1--     -0.0024                 0.1085                 0.0325
 Gamma2 Fr= 1--     -0.0303                -0.0972                -0.0037
 Delta2 Fr= 1--      0.1342                 0.1166                 0.1378
 Raman1 Fr= 1--       6.021                 23.408                  6.853
 ROA1   Fr= 1--       1.382                 -5.602                  4.058
 CID1   Fr= 1--       0.230                 -0.239                  0.592
 Raman2 Fr= 1--       2.561                  3.294                  2.734
 ROA2   Fr= 1--      -1.801                 -3.266                 -1.190
 CID2   Fr= 1--      -0.703                 -0.992                 -0.435
 Raman3 Fr= 1--       5.122                  6.588                  5.468
 ROA3   Fr= 1--       1.382                 -5.602                  4.058
 CID3   Fr= 1--       0.270                 -0.850                  0.742
 RC180  Fr= 1--       0.702                 -0.437                  0.596
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.02   0.00     0.03  -0.05  -0.03     0.18   0.08   0.05
     2   6     0.05   0.11  -0.10     0.16   0.03  -0.12    -0.03   0.07   0.03
     3   6    -0.03  -0.21   0.03    -0.04   0.00   0.04     0.17  -0.08   0.05
     4   6     0.04  -0.13   0.03    -0.19   0.04   0.19    -0.09  -0.10  -0.11
     5   6     0.17  -0.05   0.01    -0.03   0.15  -0.03    -0.05   0.03  -0.05
     6   1    -0.07  -0.32   0.00     0.08  -0.33  -0.11     0.42  -0.14  -0.04
     7   1    -0.15  -0.27  -0.03     0.05   0.40  -0.22     0.05   0.04  -0.17
     8   8    -0.11   0.25  -0.01    -0.17  -0.10  -0.06    -0.12  -0.08   0.04
     9   1     0.36  -0.19   0.18    -0.16   0.10   0.07     0.23  -0.13   0.14
    10   1     0.34   0.19   0.06     0.15   0.21  -0.04    -0.17   0.28   0.06
    11   1    -0.23   0.14   0.06    -0.06   0.09   0.14     0.04  -0.02  -0.28
    12   1    -0.05  -0.04   0.00     0.02  -0.22  -0.01     0.41   0.33  -0.01
    13   6    -0.02  -0.03   0.01     0.21  -0.04   0.04    -0.08   0.04  -0.01
    14   1     0.06   0.13  -0.10     0.28   0.01  -0.12    -0.06   0.16   0.04
    15   1    -0.20  -0.07   0.01     0.11  -0.03   0.04    -0.07   0.07  -0.01
    16   1     0.16  -0.15   0.14     0.26  -0.07   0.10    -0.09   0.05  -0.03
    17   1    -0.13  -0.08   0.04     0.22  -0.05   0.08    -0.07   0.04   0.00
                     10                     11                     12
                      A                      A                      A
 Frequencies --    728.5251               813.0151               846.7990
 Red. masses --      1.9441                 3.0333                 2.2085
 Frc consts  --      0.6079                 1.1813                 0.9331
 IR Inten    --      2.3210                 3.4007                 0.6577
 RamAct Fr= 1--      2.1215                11.4418                 4.6579
  Dep-P Fr= 1--      0.0661                 0.0991                 0.1252
  Dep-U Fr= 1--      0.1240                 0.1803                 0.2226
 Alpha2 Fr= 1--      0.0403                 0.2008                 0.0766
 Beta2  Fr= 1--      0.0439                 0.3438                 0.1728
 AlphaG Fr= 1--     -0.0410                -0.0839                -0.1906
 Gamma2 Fr= 1--     -0.2663                 0.6892                -0.4168
 Delta2 Fr= 1--     -0.2800                -0.0095                 0.1481
 Raman1 Fr= 1--       8.486                 45.767                 18.631
 ROA1   Fr= 1--     -34.529                 65.859                -35.275
 CID1   Fr= 1--      -4.069                  1.439                 -1.893
 Raman2 Fr= 1--       0.526                  4.125                  2.074
 ROA2   Fr= 1--      -4.152                 16.617                -11.188
 CID2   Fr= 1--      -7.888                  4.028                 -5.395
 Raman3 Fr= 1--       1.053                  8.251                  4.148
 ROA3   Fr= 1--     -34.529                 65.859                -35.275
 CID3   Fr= 1--     -32.804                  7.982                 -8.505
 RC180  Fr= 1--      -0.752                 -0.639                 -0.555
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01   0.04    -0.05   0.10   0.07     0.04   0.19   0.06
     2   6    -0.01  -0.07  -0.01    -0.02  -0.08  -0.07     0.01   0.01  -0.12
     3   6    -0.06  -0.08   0.10    -0.07   0.26   0.05     0.02  -0.05  -0.04
     4   6     0.08   0.07  -0.02    -0.04  -0.03  -0.02     0.03  -0.03  -0.02
     5   6    -0.10   0.05  -0.09     0.13  -0.23  -0.04    -0.15  -0.07   0.08
     6   1     0.20  -0.42  -0.08     0.25   0.09  -0.09    -0.02   0.12   0.03
     7   1    -0.30   0.09  -0.26    -0.22   0.41  -0.21    -0.15  -0.32   0.05
     8   8     0.11   0.04  -0.00    -0.04  -0.01   0.01     0.01  -0.01   0.01
     9   1    -0.18  -0.15   0.22     0.23  -0.40   0.18    -0.43   0.01  -0.00
    10   1    -0.24   0.39   0.05     0.22   0.07   0.05    -0.13  -0.21   0.03
    11   1    -0.25  -0.05  -0.23     0.00  -0.04  -0.14    -0.06   0.33   0.20
    12   1     0.15   0.20  -0.02     0.13   0.24   0.03     0.00   0.02   0.07
    13   6     0.04  -0.02   0.01     0.05  -0.03  -0.00     0.10  -0.03  -0.02
    14   1     0.07   0.01  -0.01    -0.05   0.03  -0.06    -0.18  -0.01  -0.12
    15   1     0.10   0.03   0.01    -0.11   0.04   0.01    -0.27   0.09  -0.00
    16   1    -0.06   0.05  -0.05     0.06  -0.01   0.08     0.18  -0.02   0.21
    17   1     0.13   0.00   0.02     0.17  -0.05   0.13     0.27  -0.08   0.23
                     13                     14                     15
                      A                      A                      A
 Frequencies --    893.0032               938.9536               953.0763
 Red. masses --      1.6298                 1.7363                 1.3845
 Frc consts  --      0.7658                 0.9019                 0.7410
 IR Inten    --      4.7625                 0.6940                 2.0220
 RamAct Fr= 1--      0.7674                 1.2470                 0.6577
  Dep-P Fr= 1--      0.3351                 0.5129                 0.4189
  Dep-U Fr= 1--      0.5020                 0.6781                 0.5904
 Alpha2 Fr= 1--      0.0071                 0.0058                 0.0045
 Beta2  Fr= 1--      0.0642                 0.1409                 0.0647
 AlphaG Fr= 1--      0.0428                -0.0184                 0.0462
 Gamma2 Fr= 1--      0.0641                 0.1134                -0.3203
 Delta2 Fr= 1--     -0.2886                 0.3942                -0.0798
 Raman1 Fr= 1--       3.070                  4.988                  2.631
 ROA1   Fr= 1--      -3.076                 23.501                -33.305
 CID1   Fr= 1--      -1.002                  4.711                -12.660
 Raman2 Fr= 1--       0.771                  1.691                  0.777
 ROA2   Fr= 1--       3.848                 -0.432                 -7.049
 CID2   Fr= 1--       4.994                 -0.256                 -9.077
 Raman3 Fr= 1--       1.541                  3.382                  1.553
 ROA3   Fr= 1--      -3.076                 23.501                -33.305
 CID3   Fr= 1--      -1.996                  6.948                -21.443
 RC180  Fr= 1--       0.004                  0.356                  0.181
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.09   0.05    -0.07  -0.07  -0.06    -0.04  -0.08   0.07
     2   6     0.01  -0.02  -0.03     0.01   0.11  -0.01    -0.00   0.04   0.00
     3   6    -0.06  -0.03   0.02     0.06   0.02   0.06     0.04  -0.01  -0.09
     4   6    -0.03   0.06  -0.08     0.00   0.02  -0.05    -0.00   0.02   0.07
     5   6     0.09   0.09   0.10    -0.06  -0.10   0.04    -0.03  -0.02  -0.04
     6   1     0.30   0.14  -0.02     0.22  -0.04  -0.00    -0.07   0.26   0.03
     7   1    -0.23  -0.06  -0.10     0.13   0.23  -0.06     0.21  -0.12   0.15
     8   8    -0.01  -0.00   0.01     0.02  -0.01   0.01     0.01  -0.01  -0.01
     9   1     0.04   0.34  -0.26    -0.06  -0.08   0.01    -0.29  -0.13   0.16
    10   1     0.08  -0.33  -0.04    -0.28  -0.11   0.07     0.25   0.15  -0.02
    11   1    -0.23  -0.14  -0.27    -0.18   0.02  -0.01    -0.06  -0.29  -0.32
    12   1     0.32   0.12  -0.03     0.05  -0.16  -0.08    -0.05   0.40   0.04
    13   6     0.01  -0.00  -0.04     0.05   0.10   0.01     0.03   0.01  -0.01
    14   1    -0.22  -0.06  -0.03    -0.05  -0.06  -0.02    -0.03   0.44   0.03
    15   1    -0.29   0.07  -0.02    -0.07  -0.21  -0.01    -0.12   0.02  -0.01
    16   1     0.09  -0.01   0.15     0.49  -0.28   0.15     0.14  -0.05   0.09
    17   1     0.09  -0.05   0.14    -0.48  -0.03  -0.11    -0.01  -0.04   0.07
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1001.0357              1007.7734              1085.6066
 Red. masses --      1.7890                 1.2097                 2.6980
 Frc consts  --      1.0562                 0.7239                 1.8734
 IR Inten    --      2.3278                 1.1242                14.4784
 RamAct Fr= 1--      3.8881                 1.5187                 1.9905
  Dep-P Fr= 1--      0.4234                 0.3604                 0.7473
  Dep-U Fr= 1--      0.5949                 0.5299                 0.8554
 Alpha2 Fr= 1--      0.0264                 0.0129                 0.0001
 Beta2  Fr= 1--      0.3855                 0.1341                 0.2838
 AlphaG Fr= 1--      0.0317                -0.1207                 0.0042
 Gamma2 Fr= 1--     -0.4997                -0.3630                -0.2676
 Delta2 Fr= 1--      0.1282                 1.1098                 0.2700
 Raman1 Fr= 1--      15.552                  6.075                  7.962
 ROA1   Fr= 1--     -43.874                  0.669                -17.046
 CID1   Fr= 1--      -2.821                  0.110                 -2.141
 Raman2 Fr= 1--       4.626                  1.609                  3.405
 ROA2   Fr= 1--     -13.019                -17.590                 -8.581
 CID2   Fr= 1--      -2.814                -10.929                 -2.520
 Raman3 Fr= 1--       9.252                  3.219                  6.811
 ROA3   Fr= 1--     -43.874                  0.669                -17.046
 CID3   Fr= 1--      -4.742                  0.208                 -2.503
 RC180  Fr= 1--       0.190                  0.060                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.17   0.04  -0.01     0.04   0.01   0.03     0.04   0.03   0.04
     2   6     0.00  -0.04  -0.03     0.04   0.00  -0.05     0.26  -0.09   0.05
     3   6     0.17  -0.02   0.01    -0.04   0.01  -0.02    -0.03  -0.05  -0.00
     4   6    -0.02   0.01  -0.01    -0.00   0.01  -0.00    -0.06   0.14  -0.01
     5   6     0.02   0.02   0.02    -0.01  -0.03   0.03     0.06  -0.08   0.01
     6   1     0.34   0.22   0.06     0.19   0.22  -0.00    -0.25  -0.15   0.01
     7   1     0.36   0.10   0.07    -0.28  -0.21  -0.04     0.17   0.11   0.03
     8   8    -0.01  -0.02   0.00    -0.01  -0.00   0.00    -0.01  -0.02   0.00
     9   1    -0.02   0.06  -0.03    -0.34  -0.03   0.06    -0.18  -0.11   0.08
    10   1     0.14  -0.05  -0.02     0.30  -0.05  -0.03    -0.29  -0.05   0.07
    11   1    -0.56   0.28   0.02    -0.06   0.03  -0.03    -0.20   0.19   0.07
    12   1    -0.14   0.05  -0.01     0.28  -0.06  -0.02    -0.21   0.25   0.08
    13   6    -0.02  -0.05   0.02    -0.05   0.04   0.06    -0.14   0.06  -0.11
    14   1     0.11  -0.12  -0.03     0.39  -0.06  -0.04     0.34  -0.05   0.05
    15   1     0.16   0.04   0.02     0.34  -0.13   0.03    -0.44   0.09  -0.11
    16   1    -0.24   0.11  -0.13    -0.09  -0.03  -0.20    -0.07   0.04   0.04
    17   1     0.17   0.03  -0.02    -0.27   0.09  -0.24    -0.18  -0.01   0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1149.8992              1161.7118              1173.7216
 Red. masses --      2.1147                 3.0108                 1.5625
 Frc consts  --      1.6475                 2.3940                 1.2683
 IR Inten    --      1.5556                57.5608                 6.6993
 RamAct Fr= 1--      1.8066                 1.6801                 1.0615
  Dep-P Fr= 1--      0.7384                 0.7125                 0.7103
  Dep-U Fr= 1--      0.8495                 0.8321                 0.8306
 Alpha2 Fr= 1--      0.0004                 0.0011                 0.0007
 Beta2  Fr= 1--      0.2558                 0.2330                 0.1470
 AlphaG Fr= 1--     -0.0047                 0.0025                 0.0009
 Gamma2 Fr= 1--     -0.4102                 0.5563                -0.7162
 Delta2 Fr= 1--      0.2412                 0.0433                 0.2495
 Raman1 Fr= 1--       7.227                  6.721                  4.246
 ROA1   Fr= 1--     -31.664                 54.795                -60.769
 CID1   Fr= 1--      -4.382                  8.153                -14.311
 Raman2 Fr= 1--       3.069                  2.796                  1.763
 ROA2   Fr= 1--     -11.775                 13.006                -19.184
 CID2   Fr= 1--      -3.836                  4.651                -10.879
 Raman3 Fr= 1--       6.139                  5.592                  3.527
 ROA3   Fr= 1--     -31.664                 54.795                -60.769
 CID3   Fr= 1--      -5.158                  9.799                -17.230
 RC180  Fr= 1--       0.699                  0.664                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.09  -0.05     0.08   0.02  -0.03     0.06  -0.04   0.01
     2   6     0.08   0.17  -0.00    -0.13   0.04  -0.02    -0.01   0.06   0.02
     3   6    -0.08   0.04   0.03     0.01  -0.13   0.04    -0.06  -0.02  -0.09
     4   6     0.04  -0.08  -0.07    -0.11   0.28  -0.11    -0.02   0.07   0.12
     5   6    -0.07  -0.06   0.09     0.04  -0.13   0.04    -0.03  -0.06  -0.05
     6   1     0.01  -0.06  -0.03    -0.27  -0.33   0.03     0.08   0.32  -0.00
     7   1     0.16   0.37  -0.04     0.11   0.04  -0.02     0.01  -0.11   0.05
     8   8     0.02   0.02   0.01     0.03  -0.04   0.02     0.03  -0.00  -0.02
     9   1    -0.12   0.01  -0.01     0.06  -0.10  -0.01     0.53  -0.14  -0.00
    10   1    -0.04  -0.17   0.04     0.56  -0.05  -0.02    -0.27   0.07   0.04
    11   1    -0.10   0.01  -0.02    -0.01   0.13   0.09    -0.44   0.26   0.02
    12   1     0.05  -0.05  -0.05    -0.15  -0.01   0.02     0.36  -0.15  -0.04
    13   6    -0.04  -0.11  -0.01     0.04  -0.03   0.07     0.00  -0.02   0.00
    14   1     0.20   0.47   0.02    -0.19   0.34  -0.01    -0.09  -0.11   0.01
    15   1     0.05   0.24   0.01     0.28  -0.03   0.06     0.02   0.04   0.01
    16   1    -0.38   0.21  -0.08    -0.04  -0.00  -0.06    -0.06   0.04   0.00
    17   1     0.38   0.02   0.05     0.09   0.03  -0.03     0.09   0.00   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1224.2581              1255.4362              1269.5278
 Red. masses --      1.6254                 1.4809                 1.5134
 Frc consts  --      1.4353                 1.3752                 1.4371
 IR Inten    --      1.2887                 0.2313                 7.1775
 RamAct Fr= 1--      1.5180                 4.1821                 0.4910
  Dep-P Fr= 1--      0.5629                 0.7260                 0.4559
  Dep-U Fr= 1--      0.7203                 0.8413                 0.6263
 Alpha2 Fr= 1--      0.0054                 0.0017                 0.0029
 Beta2  Fr= 1--      0.1822                 0.5864                 0.0512
 AlphaG Fr= 1--      0.0136                 0.0027                 0.0094
 Gamma2 Fr= 1--     -1.1571                 0.9934                -0.4314
 Delta2 Fr= 1--     -0.5476                 0.0553                -0.4160
 Raman1 Fr= 1--       6.072                 16.728                  1.964
 ROA1   Fr= 1--    -128.607                 97.138                -54.722
 CID1   Fr= 1--     -21.180                  5.807                -27.863
 Raman2 Fr= 1--       2.187                  7.037                  0.615
 ROA2   Fr= 1--     -23.391                 23.399                 -7.025
 CID2   Fr= 1--     -10.696                  3.325                -11.423
 Raman3 Fr= 1--       4.374                 14.073                  1.230
 ROA3   Fr= 1--    -128.607                 97.138                -54.722
 CID3   Fr= 1--     -29.404                  6.902                -44.490
 RC180  Fr= 1--       0.441                  0.683                  0.253
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.00  -0.13     0.07   0.02   0.00    -0.02   0.02  -0.03
     2   6     0.01   0.02   0.15    -0.05  -0.04   0.08    -0.02   0.05  -0.00
     3   6     0.02  -0.01   0.05    -0.11  -0.05  -0.02    -0.00  -0.04  -0.01
     4   6    -0.02   0.04   0.02     0.03  -0.07  -0.04    -0.02   0.03   0.03
     5   6    -0.02  -0.02  -0.04     0.02   0.03  -0.05     0.18  -0.02  -0.03
     6   1     0.43   0.21   0.03     0.06   0.15   0.01     0.13   0.13   0.02
     7   1    -0.38  -0.27  -0.07     0.41   0.45   0.01     0.00  -0.04  -0.00
     8   8    -0.01  -0.01  -0.00     0.01   0.02   0.00    -0.03  -0.01  -0.00
     9   1    -0.11  -0.10   0.09    -0.37  -0.02   0.08    -0.59  -0.04   0.09
    10   1     0.35   0.10  -0.05     0.35   0.11  -0.07    -0.60   0.03   0.11
    11   1     0.13   0.05   0.12    -0.23   0.25   0.11     0.14  -0.06  -0.00
    12   1    -0.11  -0.25  -0.10     0.14  -0.08   0.00     0.11  -0.17  -0.04
    13   6     0.00  -0.02  -0.08     0.02   0.03  -0.02    -0.00  -0.04   0.03
    14   1     0.10   0.09   0.15    -0.21  -0.19   0.07    -0.28   0.11  -0.00
    15   1    -0.28   0.13  -0.06    -0.07  -0.04  -0.01     0.11   0.03   0.03
    16   1     0.00   0.07   0.15     0.09  -0.02   0.07    -0.11   0.04  -0.05
    17   1     0.10  -0.08   0.15    -0.08  -0.03   0.05     0.07   0.02  -0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1306.2423              1322.2091              1349.7942
 Red. masses --      1.3296                 1.3833                 1.3208
 Frc consts  --      1.3366                 1.4248                 1.4178
 IR Inten    --      2.2960                 3.5079                 2.0346
 RamAct Fr= 1--      2.6922                 0.6649                 4.4345
  Dep-P Fr= 1--      0.7490                 0.7494                 0.7487
  Dep-U Fr= 1--      0.8565                 0.8567                 0.8563
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0001
 Beta2  Fr= 1--      0.3843                 0.0949                 0.6329
 AlphaG Fr= 1--      0.0030                 0.0002                -0.0056
 Gamma2 Fr= 1--     -3.1285                -0.0353                -0.7211
 Delta2 Fr= 1--     -0.9474                -0.5210                 0.9331
 Raman1 Fr= 1--      10.769                  2.660                 17.738
 ROA1   Fr= 1--    -330.655                -20.058                -39.363
 CID1   Fr= 1--     -30.704                 -7.542                 -2.219
 Raman2 Fr= 1--       4.612                  1.139                  7.594
 ROA2   Fr= 1--     -67.505                  3.321                -24.771
 CID2   Fr= 1--     -14.637                  2.915                 -3.262
 Raman3 Fr= 1--       9.224                  2.279                 15.188
 ROA3   Fr= 1--    -330.655                -20.058                -39.363
 CID3   Fr= 1--     -35.849                 -8.803                 -2.592
 RC180  Fr= 1--       0.713                  0.713                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.02    -0.11   0.08   0.05    -0.01   0.05  -0.03
     2   6     0.01  -0.01  -0.06    -0.02   0.05   0.02    -0.04  -0.14   0.00
     3   6    -0.09  -0.10   0.03    -0.01  -0.07  -0.03    -0.01  -0.02  -0.01
     4   6    -0.00   0.02   0.03    -0.02   0.04  -0.01     0.00  -0.02   0.01
     5   6    -0.03  -0.01   0.01    -0.01  -0.02   0.01     0.01   0.03   0.03
     6   1     0.50   0.41   0.07    -0.07  -0.00   0.01     0.00   0.07   0.01
     7   1     0.15   0.21  -0.03     0.29   0.14   0.04     0.06   0.08  -0.03
     8   8     0.02   0.01  -0.01     0.01  -0.00   0.00     0.00   0.01  -0.00
     9   1     0.24   0.01  -0.04     0.07  -0.01  -0.01     0.15   0.06  -0.02
    10   1    -0.10  -0.04   0.01     0.06  -0.02   0.00    -0.15  -0.08   0.02
    11   1     0.35  -0.14   0.01     0.40  -0.31  -0.11    -0.05   0.11   0.04
    12   1    -0.44   0.24   0.06     0.47  -0.27  -0.04     0.23  -0.27  -0.06
    13   6    -0.01   0.01   0.02    -0.00  -0.02  -0.05     0.01   0.04  -0.01
    14   1     0.04   0.02  -0.06     0.41  -0.27   0.00     0.24   0.81   0.06
    15   1     0.05  -0.03   0.01    -0.05   0.06  -0.03    -0.04  -0.14  -0.02
    16   1     0.02  -0.04  -0.05     0.04   0.01   0.09     0.08  -0.05  -0.03
    17   1    -0.02   0.03  -0.06     0.12  -0.03   0.09    -0.08  -0.03   0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1386.8413              1416.8470              1450.1610
 Red. masses --      1.5337                 1.2493                 1.0910
 Frc consts  --      1.7380                 1.4776                 1.3517
 IR Inten    --      4.6972                 4.0681                16.6473
 RamAct Fr= 1--      2.5155                 0.1624                 1.4115
  Dep-P Fr= 1--      0.7174                 0.2378                 0.7344
  Dep-U Fr= 1--      0.8354                 0.3842                 0.8468
 Alpha2 Fr= 1--      0.0014                 0.0020                 0.0004
 Beta2  Fr= 1--      0.3503                 0.0104                 0.1992
 AlphaG Fr= 1--     -0.0018                 0.0120                -0.0047
 Gamma2 Fr= 1--     -0.6648                 0.0018                -0.2799
 Delta2 Fr= 1--      0.0915                 0.0401                 0.1985
 Raman1 Fr= 1--      10.062                  0.650                  5.646
 ROA1   Fr= 1--     -60.892                  1.458                -20.515
 CID1   Fr= 1--      -6.052                  2.245                 -3.634
 Raman2 Fr= 1--       4.203                  0.125                  2.391
 ROA2   Fr= 1--     -16.688                 -0.277                 -8.305
 CID2   Fr= 1--      -3.970                 -2.223                 -3.474
 Raman3 Fr= 1--       8.406                  0.250                  4.781
 ROA3   Fr= 1--     -60.892                  1.458                -20.515
 CID3   Fr= 1--      -7.244                  5.842                 -4.291
 RC180  Fr= 1--       0.671                 -0.232                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.04   0.01     0.00  -0.01  -0.01    -0.01  -0.00  -0.00
     2   6    -0.18   0.03  -0.01     0.02  -0.01   0.01     0.02  -0.01   0.00
     3   6    -0.01   0.02  -0.00    -0.00   0.01   0.00     0.02  -0.02   0.00
     4   6     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.01   0.01
     5   6     0.07  -0.01   0.02     0.00  -0.00  -0.00    -0.01  -0.07   0.02
     6   1     0.04  -0.04  -0.03     0.01   0.00  -0.00    -0.18   0.18   0.11
     7   1    -0.02  -0.05   0.05    -0.03  -0.01  -0.00    -0.11   0.12  -0.22
     8   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   1    -0.14   0.10  -0.10    -0.02   0.02  -0.03    -0.05   0.35  -0.54
    10   1    -0.22   0.08   0.09     0.00   0.04   0.01     0.04   0.60   0.22
    11   1    -0.19   0.10   0.00    -0.03   0.01  -0.00     0.03   0.00   0.04
    12   1    -0.26   0.18   0.06    -0.03  -0.00  -0.00     0.06   0.02  -0.01
    13   6     0.04  -0.00  -0.05    -0.13   0.04  -0.04     0.00  -0.00   0.00
    14   1     0.78  -0.15  -0.00    -0.06   0.01   0.01    -0.05   0.02   0.00
    15   1    -0.05  -0.00  -0.04     0.56  -0.13  -0.05    -0.01  -0.01   0.00
    16   1     0.09   0.01   0.14     0.38  -0.33   0.26    -0.04   0.03  -0.01
    17   1     0.06  -0.08   0.14     0.48   0.08   0.28    -0.04  -0.01  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1453.9407              1496.2972              1499.7307
 Red. masses --      1.0894                 1.0556                 1.0530
 Frc consts  --      1.3569                 1.3925                 1.3954
 IR Inten    --      3.3123                 1.9298                 5.6881
 RamAct Fr= 1--      8.2202                 2.5446                 3.5808
  Dep-P Fr= 1--      0.6517                 0.7148                 0.6773
  Dep-U Fr= 1--      0.7891                 0.8337                 0.8076
 Alpha2 Fr= 1--      0.0145                 0.0015                 0.0046
 Beta2  Fr= 1--      1.0812                 0.3536                 0.4820
 AlphaG Fr= 1--     -0.0731                -0.0098                -0.0022
 Gamma2 Fr= 1--      1.1047                 0.0339                 0.1938
 Delta2 Fr= 1--     -0.6106                -0.1288                -0.6702
 Raman1 Fr= 1--      32.881                 10.179                 14.323
 ROA1   Fr= 1--      86.513                 -0.870                 -2.837
 CID1   Fr= 1--       2.631                 -0.085                 -0.198
 Raman2 Fr= 1--      12.974                  4.243                  5.784
 ROA2   Fr= 1--      31.399                  1.843                 10.014
 CID2   Fr= 1--       2.420                  0.434                  1.731
 Raman3 Fr= 1--      25.948                  8.485                 11.568
 ROA3   Fr= 1--      86.513                 -0.870                 -2.837
 CID3   Fr= 1--       3.334                 -0.103                 -0.245
 RC180  Fr= 1--       0.578                  0.667                  0.615
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.01     0.01   0.02   0.01     0.02   0.02   0.02
     2   6     0.02  -0.01  -0.00     0.00  -0.03  -0.01     0.02   0.01  -0.02
     3   6    -0.06   0.04  -0.02    -0.01   0.00  -0.00    -0.01   0.00   0.00
     4   6    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   6    -0.00  -0.03   0.01    -0.00   0.00   0.00    -0.01  -0.00   0.00
     6   1     0.42  -0.40  -0.26     0.03  -0.02  -0.02     0.03  -0.02  -0.02
     7   1     0.27  -0.28   0.51     0.03  -0.01   0.04     0.01  -0.02   0.03
     8   8    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   1    -0.02   0.14  -0.22     0.02   0.03  -0.03     0.02   0.00  -0.01
    10   1     0.03   0.23   0.09    -0.01   0.03   0.01     0.00   0.00   0.00
    11   1     0.07   0.03   0.11    -0.06  -0.02  -0.14    -0.06  -0.09  -0.25
    12   1     0.10   0.07  -0.03    -0.07  -0.14   0.03    -0.16  -0.21   0.05
    13   6    -0.00   0.00   0.01    -0.01  -0.05  -0.02     0.02   0.02  -0.04
    14   1    -0.06   0.06   0.00    -0.01   0.07  -0.00    -0.08  -0.01  -0.02
    15   1    -0.01  -0.03   0.00     0.26   0.61   0.03     0.28  -0.32  -0.05
    16   1    -0.01  -0.00  -0.04     0.09   0.10   0.55    -0.27   0.37   0.19
    17   1    -0.01   0.00  -0.00    -0.26   0.03  -0.33    -0.31  -0.31   0.47
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1505.1046              1816.0933              2998.1861
 Red. masses --      1.0821                12.5633                 1.0812
 Frc consts  --      1.4442                24.4134                 5.7261
 IR Inten    --      7.6336               270.7608                 5.8995
 RamAct Fr= 1--      6.5069                17.1941               197.6472
  Dep-P Fr= 1--      0.7440                 0.5014                 0.1834
  Dep-U Fr= 1--      0.8532                 0.6679                 0.3099
 Alpha2 Fr= 1--      0.0007                 0.0843                 2.8042
 Beta2  Fr= 1--      0.9253                 1.9141                10.2084
 AlphaG Fr= 1--     -0.0031                -0.3950                 1.0053
 Gamma2 Fr= 1--     -0.1880                -3.8892                -7.8535
 Delta2 Fr= 1--      0.8763                -0.9865                -6.1830
 Raman1 Fr= 1--      26.027                 68.776                790.589
 ROA1   Fr= 1--       9.995               -404.928               -951.792
 CID1   Fr= 1--       0.384                 -5.888                 -1.204
 Raman2 Fr= 1--      11.103                 22.969                122.501
 ROA2   Fr= 1--     -11.523                -85.449               -139.020
 CID2   Fr= 1--      -1.038                 -3.720                 -1.135
 Raman3 Fr= 1--      22.207                 45.938                245.003
 ROA3   Fr= 1--       9.995               -404.928               -951.792
 CID3   Fr= 1--       0.450                 -8.815                 -3.885
 RC180  Fr= 1--       0.706                  0.336                 -0.380
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.05  -0.03    -0.02  -0.01   0.00     0.00  -0.00   0.02
     2   6    -0.01  -0.01  -0.01    -0.03  -0.00  -0.00     0.00   0.00  -0.07
     3   6     0.01  -0.01  -0.00    -0.04  -0.02   0.00     0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00     0.76   0.30  -0.03    -0.00   0.00   0.00
     5   6     0.00   0.01  -0.00    -0.04  -0.02   0.00     0.00  -0.01   0.03
     6   1    -0.04   0.04   0.03     0.02   0.03  -0.00     0.00   0.00  -0.00
     7   1    -0.02   0.02  -0.06     0.10   0.11  -0.01    -0.01   0.01   0.01
     8   8     0.00   0.00  -0.00    -0.49  -0.20   0.02     0.00  -0.00  -0.00
     9   1     0.02  -0.04   0.07     0.15  -0.01  -0.00     0.01   0.01   0.02
    10   1    -0.03  -0.09  -0.03     0.02  -0.01   0.00    -0.06   0.11  -0.33
    11   1     0.21   0.15   0.55    -0.02  -0.02   0.01     0.01   0.01  -0.00
    12   1     0.33   0.51  -0.11     0.03   0.01  -0.01    -0.04  -0.01  -0.20
    13   6     0.01  -0.01  -0.02     0.00  -0.00   0.00    -0.00   0.00   0.01
    14   1    -0.00   0.02  -0.01     0.04   0.01   0.00    -0.01  -0.05   0.90
    15   1     0.21   0.02  -0.02    -0.00  -0.00   0.00    -0.00   0.01  -0.10
    16   1    -0.08   0.18   0.25    -0.00   0.00   0.00     0.02   0.03  -0.01
    17   1    -0.19  -0.13   0.14    -0.00  -0.00   0.00     0.01  -0.04  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   3015.0734              3022.2460              3027.8181
 Red. masses --      1.0698                 1.0426                 1.0652
 Frc consts  --      5.7302                 5.6107                 5.7537
 IR Inten    --     12.0131                16.1487                20.5116
 RamAct Fr= 1--     16.5547                58.3156               310.8093
  Dep-P Fr= 1--      0.4806                 0.0529                 0.0196
  Dep-U Fr= 1--      0.6492                 0.1006                 0.0384
 Alpha2 Fr= 1--      0.0893                 1.1439                 6.5971
 Beta2  Fr= 1--      1.7911                 0.9773                 1.9915
 AlphaG Fr= 1--      0.1407                -0.0053                 1.0948
 Gamma2 Fr= 1--     11.8875                -1.0395                -8.5676
 Delta2 Fr= 1--     10.2962                 0.2625                -1.0103
 Raman1 Fr= 1--      66.219                233.263               1243.237
 ROA1   Fr= 1--    1470.676                -91.392               -854.820
 CID1   Fr= 1--      22.209                 -0.392                 -0.688
 Raman2 Fr= 1--      21.493                 11.728                 23.898
 ROA2   Fr= 1--     202.930                -27.047               -197.541
 CID2   Fr= 1--       9.442                 -2.306                 -8.266
 Raman3 Fr= 1--      42.986                 23.456                 47.797
 ROA3   Fr= 1--    1470.676                -91.392               -854.820
 CID3   Fr= 1--      34.213                 -3.896                -17.884
 RC180  Fr= 1--       0.298                 -0.799                 -0.923
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.02     0.01   0.01   0.03    -0.02  -0.01  -0.04
     2   6    -0.00   0.00  -0.02     0.00  -0.00   0.01     0.00   0.00  -0.02
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01     0.01  -0.02   0.04
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6    -0.01   0.04  -0.06     0.00  -0.00   0.00    -0.00   0.01  -0.01
     6   1     0.01  -0.02   0.05     0.03  -0.05   0.14    -0.11   0.17  -0.50
     7   1    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.05   0.04   0.07
     8   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     9   1    -0.02  -0.17  -0.15     0.00   0.01   0.01    -0.01  -0.05  -0.04
    10   1     0.13  -0.27   0.82    -0.00   0.00  -0.01     0.03  -0.07   0.20
    11   1    -0.02  -0.04   0.03    -0.06  -0.09   0.06     0.07   0.13  -0.09
    12   1    -0.05  -0.01  -0.28    -0.07  -0.01  -0.39     0.11   0.03   0.61
    13   6     0.00  -0.00   0.01    -0.04   0.01  -0.02    -0.02   0.00  -0.01
    14   1    -0.00  -0.02   0.27    -0.00   0.00  -0.06    -0.00  -0.01   0.22
    15   1     0.00   0.01  -0.11    -0.00  -0.04   0.61     0.00  -0.02   0.24
    16   1    -0.02  -0.02   0.01     0.31   0.34  -0.14     0.17   0.19  -0.07
    17   1    -0.01   0.04   0.02     0.12  -0.39  -0.18     0.07  -0.22  -0.10
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3033.7885              3081.9646              3088.8540
 Red. masses --      1.0647                 1.1002                 1.0966
 Frc consts  --      5.7735                 6.1571                 6.1645
 IR Inten    --     38.6328                20.2723                52.7275
 RamAct Fr= 1--     24.3831                26.4760               133.7598
  Dep-P Fr= 1--      0.6671                 0.7365                 0.3274
  Dep-U Fr= 1--      0.8003                 0.8482                 0.4932
 Alpha2 Fr= 1--      0.0359                 0.0061                 1.2620
 Beta2  Fr= 1--      3.2523                 3.7430                10.9959
 AlphaG Fr= 1--      0.0973                -0.0315                -0.8928
 Gamma2 Fr= 1--     -1.3806               -13.6252                 6.4126
 Delta2 Fr= 1--     -6.8028                -8.7724                 1.9405
 Raman1 Fr= 1--      97.532                105.904                535.039
 ROA1   Fr= 1--    -350.229              -1588.734                677.707
 CID1   Fr= 1--      -3.591                -15.002                  1.267
 Raman2 Fr= 1--      39.028                 44.916                131.951
 ROA2   Fr= 1--      21.287               -256.825                138.378
 CID2   Fr= 1--       0.545                 -5.718                  1.049
 Raman3 Fr= 1--      78.056                 89.833                263.903
 ROA3   Fr= 1--    -350.229              -1588.734                677.707
 CID3   Fr= 1--      -4.487                -17.685                  2.568
 RC180  Fr= 1--       0.601                  0.696                 -0.014
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.03    -0.01  -0.02   0.02    -0.03  -0.05   0.05
     2   6     0.00   0.00  -0.01    -0.00   0.00  -0.01    -0.00  -0.00   0.01
     3   6    -0.03   0.03  -0.04     0.00  -0.00   0.00     0.01  -0.01  -0.01
     4   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00   0.01  -0.00     0.00   0.00   0.00    -0.00  -0.01  -0.01
     6   1     0.16  -0.24   0.71    -0.01   0.01  -0.03    -0.01   0.02  -0.05
     7   1     0.14  -0.14  -0.19    -0.02   0.02   0.03    -0.10   0.10   0.12
     8   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     9   1    -0.00  -0.03  -0.03    -0.00  -0.05  -0.04     0.01   0.08   0.06
    10   1     0.01  -0.03   0.08    -0.00  -0.00   0.00     0.00  -0.00   0.01
    11   1     0.12   0.21  -0.13     0.16   0.27  -0.15     0.37   0.65  -0.36
    12   1     0.08   0.02   0.45    -0.02  -0.01  -0.08    -0.05  -0.02  -0.26
    13   6    -0.01   0.00   0.00     0.04   0.02  -0.08    -0.02  -0.03   0.02
    14   1    -0.00  -0.01   0.14     0.00  -0.01   0.09     0.00   0.01  -0.11
    15   1     0.00  -0.00   0.05     0.01  -0.05   0.67    -0.01   0.01  -0.20
    16   1     0.05   0.06  -0.02    -0.37  -0.39   0.14     0.23   0.24  -0.09
    17   1     0.02  -0.08  -0.03    -0.07   0.26   0.09    -0.03   0.08   0.04
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3089.5449              3102.4258              3103.9334
 Red. masses --      1.1014                 1.0926                 1.0949
 Frc consts  --      6.1939                 6.1961                 6.2149
 IR Inten    --     18.5267                13.5962                13.9656
 RamAct Fr= 1--     66.9059               103.9147                95.4929
  Dep-P Fr= 1--      0.6216                 0.2684                 0.4034
  Dep-U Fr= 1--      0.7666                 0.4232                 0.5749
 Alpha2 Fr= 1--      0.1570                 1.1690                 0.6988
 Beta2  Fr= 1--      8.5486                 7.3297                 9.1497
 AlphaG Fr= 1--     -0.2976                -0.7660                -0.4475
 Gamma2 Fr= 1--     -1.7668                 6.1851                13.9189
 Delta2 Fr= 1--      1.5890                -1.5347                 8.6575
 Raman1 Fr= 1--     267.624                415.659                381.971
 ROA1   Fr= 1--    -118.769                544.660               1613.252
 CID1   Fr= 1--      -0.444                  1.310                  4.223
 Raman2 Fr= 1--     102.583                 87.957                109.797
 ROA2   Fr= 1--     -55.116                160.721                264.793
 CID2   Fr= 1--      -0.537                  1.827                  2.412
 Raman3 Fr= 1--     205.167                175.913                219.594
 ROA3   Fr= 1--    -118.769                544.660               1613.252
 CID3   Fr= 1--      -0.579                  3.096                  7.347
 RC180  Fr= 1--       0.533                 -0.154                  0.150
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.01     0.00   0.00  -0.01     0.00   0.01  -0.02
     2   6    -0.00  -0.00  -0.01     0.00   0.00  -0.01    -0.00   0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.04  -0.04  -0.07
     4   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.01  -0.06  -0.06     0.00   0.00   0.00
     6   1     0.00  -0.00   0.01     0.01  -0.01   0.02     0.07  -0.10   0.24
     7   1     0.04  -0.03  -0.04    -0.01   0.01   0.01    -0.51   0.51   0.60
     8   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   1    -0.00  -0.05  -0.03     0.07   0.78   0.55    -0.00  -0.04  -0.03
    10   1    -0.00   0.00  -0.01     0.03  -0.08   0.20    -0.00  -0.00   0.00
    11   1    -0.09  -0.16   0.09    -0.03  -0.05   0.03    -0.06  -0.11   0.06
    12   1     0.01   0.01   0.08     0.01   0.00   0.03     0.03   0.01   0.13
    13   6    -0.01  -0.08  -0.03     0.00  -0.00  -0.01     0.00  -0.00  -0.00
    14   1    -0.00  -0.00   0.06    -0.00  -0.01   0.09    -0.00  -0.00   0.02
    15   1    -0.00  -0.03   0.19     0.00  -0.01   0.07     0.00  -0.00   0.02
    16   1     0.34   0.34  -0.15    -0.03  -0.03   0.01    -0.00  -0.00   0.00
    17   1    -0.23   0.70   0.31    -0.02   0.05   0.02    -0.00   0.01   0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Molecular mass:    98.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   331.66288 924.196891179.12879
           X            0.99943  -0.03343   0.00480
           Y            0.03344   0.99944  -0.00209
           Z           -0.00472   0.00225   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.26115     0.09372     0.07346
 Rotational constants (GHZ):           5.44149     1.95277     1.53057
 Zero-point vibrational energy     390822.0 (Joules/Mol)
                                   93.40870 (Kcal/Mol)
 Warning -- explicit consideration of   9 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    123.68   247.59   347.64   405.47   594.38
          (Kelvin)            664.11   703.94   776.35   842.94  1048.19
                             1169.75  1218.35  1284.83  1350.94  1371.26
                             1440.27  1449.96  1561.95  1654.45  1671.44
                             1688.72  1761.43  1806.29  1826.57  1879.39
                             1902.36  1942.05  1995.36  2038.53  2086.46
                             2091.90  2152.84  2157.78  2165.51  2612.95
                             4313.72  4338.02  4348.34  4356.35  4364.94
                             4434.26  4444.17  4445.17  4463.70  4465.87
 
 Zero-point correction=                           0.148856 (Hartree/Particle)
 Thermal correction to Energy=                    0.155806
 Thermal correction to Enthalpy=                  0.156750
 Thermal correction to Gibbs Free Energy=         0.117972
 Sum of electronic and zero-point Energies=           -309.886564
 Sum of electronic and thermal Energies=              -309.879614
 Sum of electronic and thermal Enthalpies=            -309.878670
 Sum of electronic and thermal Free Energies=         -309.917447
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   97.770             26.230             81.615
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.660
 Rotational               0.889              2.981             27.382
 Vibrational             95.992             20.268             14.572
 Vibration     1          0.601              1.959              3.750
 Vibration     2          0.626              1.877              2.413
 Vibration     3          0.658              1.777              1.791
 Vibration     4          0.681              1.707              1.523
 Vibration     5          0.777              1.442              0.916
 Vibration     6          0.819              1.335              0.762
 Vibration     7          0.845              1.274              0.686
 Vibration     8          0.895              1.163              0.566
 Vibration     9          0.943              1.062              0.475
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.545147D-54        -54.263487       -124.946295
 Total V=0       0.160535D+15         14.205569         32.709531
 Vib (Bot)       0.663556D-67        -67.178123       -154.683344
 Vib (Bot)    1  0.239341D+01          0.379017          0.872718
 Vib (Bot)    2  0.117031D+01          0.068300          0.157266
 Vib (Bot)    3  0.810930D+00         -0.091017         -0.209574
 Vib (Bot)    4  0.681569D+00         -0.166490         -0.383358
 Vib (Bot)    5  0.427264D+00         -0.369303         -0.850353
 Vib (Bot)    6  0.368006D+00         -0.434145         -0.999655
 Vib (Bot)    7  0.339106D+00         -0.469665         -1.081443
 Vib (Bot)    8  0.293737D+00         -0.532041         -1.225071
 Vib (Bot)    9  0.258564D+00         -0.587432         -1.352613
 Vib (V=0)       0.195404D+02          1.290933          2.972483
 Vib (V=0)    1  0.294508D+01          0.469097          1.080135
 Vib (V=0)    2  0.177264D+01          0.248621          0.572471
 Vib (V=0)    3  0.145268D+01          0.162171          0.373413
 Vib (V=0)    4  0.134530D+01          0.128820          0.296619
 Vib (V=0)    5  0.115769D+01          0.063592          0.146426
 Vib (V=0)    6  0.112083D+01          0.049539          0.114069
 Vib (V=0)    7  0.110415D+01          0.043027          0.099073
 Vib (V=0)    8  0.107990D+01          0.033383          0.076866
 Vib (V=0)    9  0.106290D+01          0.026492          0.061000
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.381750D+08          7.581779         17.457692
 Rotational      0.215207D+06          5.332857         12.279357
 
                                                          ROA calculations.
                                                             IR Spectrum
 
 3333333332                                               1          11111 11111111111  1  11                                        
 1100000009                                               8          55444 43333222111  0  0099 8 88   7     55 4 4 4    2 2 1       
 0098832219                                               1          00955 18520752765  8  0053 9 41   2     84 8 6 1    8 4 7   8   
 4209248258                                               6          50640 77026054420  6  8139 3 73   9     60 9 2 3    2 2 2   6   
 
 XXXXXXXXXX                                               X          XXXXX XXXXXXXXXXX  X  XXXX X XX   X     XX X X X    X X X   X   
    X XX                                                  X                         X                                                
    X X                                                   X                         X                                                
    X                                                     X                         X                                                
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                                                          X                                                                          
                                                          X                                                                          
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 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000007445    0.000005124   -0.000000213
      2        6          -0.000000856   -0.000063105   -0.000010563
      3        6          -0.000009791    0.000018613    0.000004756
      4        6           0.000014744   -0.000002382   -0.000007730
      5        6          -0.000004478    0.000013509    0.000009179
      6        1           0.000001435   -0.000000762    0.000002438
      7        1          -0.000002099   -0.000002148    0.000002827
      8        8          -0.000000773   -0.000002159   -0.000001080
      9        1           0.000002619    0.000001002   -0.000003367
     10        1           0.000002731    0.000003498   -0.000001570
     11        1          -0.000004277    0.000003381    0.000003465
     12        1          -0.000002748    0.000009876    0.000004963
     13        6           0.000001156    0.000004970    0.000003764
     14        1           0.000005025    0.000001037   -0.000000318
     15        1          -0.000004602    0.000002223   -0.000004485
     16        1          -0.000006729    0.000004905    0.000000035
     17        1           0.000001197    0.000002417   -0.000002102
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000063105 RMS     0.000010525
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.874405D+02  0.119355D+00  0.348496D+00
      2   0.119355D+00  0.757470D+02 -0.489885D+00
      3   0.348496D+00 -0.489885D+00  0.616199D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.175796D+01 -0.641087D+00 -0.425015D+01
      2   0.646846D+00  0.292105D+00  0.213347D+02
      3   0.660551D+01 -0.138923D+02 -0.704308D+00
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.336377D+02 -0.208693D+02 -0.589877D+00
      2  -0.179162D+02  0.195176D+02 -0.450620D+01
      3  -0.157215D+02  0.135166D+01  0.509608D+01
      4  -0.103240D+02  0.273278D+02  0.192729D+01
      5   0.394732D+01  0.204116D+00  0.470928D+02
      6  -0.119657D+01 -0.315131D+01  0.100273D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.228285D+01 -0.983073D+00  0.866303D+00 -0.157922D+00 -0.409332D+01
      2  -0.983073D+00 -0.324598D+01  0.127805D+00 -0.409332D+01 -0.775006D+00
      3   0.866303D+00  0.127805D+00 -0.171103D+01  0.246989D+00  0.219874D+01
                 6             7             8             9            10 
      1   0.246989D+00  0.141310D+01  0.477601D+00 -0.209543D+01 -0.833195D+00
      2   0.219874D+01  0.477601D+00  0.301677D+01 -0.983999D+00  0.218192D+01
      3  -0.594482D+00 -0.209543D+01 -0.983999D+00 -0.646220D+01 -0.102145D+01
                11            12            13            14            15 
      1   0.218192D+01 -0.102145D+01  0.201993D+01  0.276154D+01  0.273544D+00
      2   0.322742D+01  0.245739D+00  0.276154D+01 -0.268138D+01 -0.135262D+01
      3   0.245739D+00  0.379396D-01  0.273544D+00 -0.135262D+01 -0.836674D+00
                16            17            18            19            20 
      1  -0.186279D+01  0.276745D+00  0.767451D+00 -0.106673D+01 -0.173880D+01
      2   0.276745D+00 -0.156441D+01 -0.907120D+00 -0.173880D+01  0.439871D+01
      3   0.767451D+00 -0.907120D+00  0.945670D+01 -0.996950D+00  0.534789D+00
                21            22            23            24            25 
      1  -0.996950D+00 -0.171345D+01  0.231638D+01  0.698481D+00 -0.106118D+01
      2   0.534789D+00  0.231638D+01  0.122237D+01 -0.675835D+00  0.154506D+01
      3   0.224161D+01  0.698481D+00 -0.675835D+00 -0.217753D+01  0.246607D+01
                26            27            28            29            30 
      1   0.154506D+01  0.246607D+01  0.486251D+01  0.462574D+01  0.575645D-01
      2  -0.265383D-01 -0.312670D+01  0.462574D+01 -0.298749D+01 -0.309742D+00
      3  -0.312670D+01  0.345129D+01  0.575645D-01 -0.309742D+00 -0.447983D+00
                31            32            33            34            35 
      1   0.322325D+01  0.205627D+00 -0.549605D+00  0.653849D+00 -0.867411D+00
      2   0.205627D+00 -0.267522D+01 -0.284884D+00 -0.867411D+00 -0.438432D+00
      3  -0.549605D+00 -0.284884D+00 -0.215276D-01 -0.908105D-01  0.112177D+00
                36            37            38            39            40 
      1  -0.908105D-01  0.323012D+00 -0.307429D+01  0.152765D-01 -0.188037D+01
      2   0.112177D+00 -0.307429D+01  0.127093D+01  0.502687D+00 -0.526310D+00
      3   0.397471D-02  0.152765D-01  0.502687D+00 -0.281347D+00  0.422762D+00
                41            42            43            44            45 
      1  -0.526310D+00  0.422762D+00 -0.113791D+01  0.126413D+01 -0.814249D+00
      2   0.529228D+01  0.156422D+01  0.126413D+01  0.225010D+01  0.328474D+01
      3   0.156422D+01  0.278803D+01 -0.814249D+00  0.328474D+01 -0.423876D+01
                46            47            48            49            50 
      1  -0.864864D+00  0.112945D+01 -0.129089D+01  0.785830D+00 -0.849720D+00
      2   0.112945D+01 -0.155462D+01  0.608463D+00 -0.849720D+00  0.208744D+01
      3  -0.129089D+01  0.608463D+00 -0.123385D+01  0.348711D+00 -0.154089D+01
                51            52            53            54            55 
      1   0.348711D+00 -0.231277D+01  0.628992D+00 -0.192534D+01 -0.374554D+01
      2  -0.154089D+01  0.628992D+00 -0.311538D+01  0.305618D+01  0.249341D+01
      3   0.176543D+01 -0.192534D+01  0.305618D+01 -0.623201D+01  0.161679D+01
                56            57            58            59            60 
      1   0.249341D+01  0.161679D+01  0.203498D+01 -0.205898D+01 -0.741045D+00
      2  -0.324449D+01 -0.100744D+01 -0.205898D+01  0.394239D+01  0.156140D+01
      3  -0.100744D+01 -0.149069D+01 -0.741045D+00  0.156140D+01  0.156640D+01
                61            62            63            64            65 
      1   0.265656D+01 -0.164163D+01 -0.180656D+01 -0.150436D+02 -0.426168D+01
      2  -0.164163D+01  0.266013D+01  0.237791D+01 -0.426168D+01 -0.175081D+01
      3  -0.180656D+01  0.237791D+01  0.215065D+01  0.352607D+00  0.568917D-01
                66            67            68            69            70 
      1   0.352607D+00 -0.344468D+01 -0.415877D+01  0.114782D+00  0.377192D-01
      2   0.568917D-01 -0.415877D+01 -0.284628D+01  0.127799D+00  0.232324D+00
      3  -0.153914D+01  0.114782D+00  0.127799D+00 -0.659996D+00 -0.371895D+01
                71            72            73            74            75 
      1   0.232324D+00 -0.371895D+01 -0.290804D+00 -0.835730D+00 -0.681673D+00
      2   0.171165D+00 -0.142095D+01 -0.835730D+00 -0.999591D+00 -0.291443D+00
      3  -0.142095D+01  0.300814D+00 -0.681673D+00 -0.291443D+00 -0.649131D-01
                76            77            78            79            80 
      1  -0.148299D+01 -0.526058D-01 -0.622537D-01 -0.909626D+00 -0.271167D+00
      2  -0.526058D-01 -0.750336D+01 -0.228360D+01 -0.271167D+00 -0.380027D+01
      3  -0.622537D-01 -0.228360D+01 -0.200039D+01  0.195782D+00 -0.255054D+01
                81            82            83            84            85 
      1   0.195782D+00  0.968702D+00 -0.102821D+00  0.104593D+01 -0.200171D+00
      2  -0.255054D+01 -0.102821D+00  0.128334D+00 -0.266672D+00  0.565159D+00
      3  -0.177411D+01  0.104593D+01 -0.266672D+00  0.793473D+00 -0.294796D+00
                86            87            88            89            90 
      1   0.565159D+00 -0.294796D+00  0.268752D+01 -0.538852D+00  0.830758D+00
      2  -0.244191D+01  0.145565D+01 -0.538852D+00  0.267707D+01 -0.292946D+01
      3   0.145565D+01 -0.158837D+01  0.830758D+00 -0.292946D+01  0.614504D+01
                91            92            93            94            95 
      1   0.251221D+01  0.237225D+01 -0.796560D+00  0.227562D+01  0.275602D+01
      2   0.237225D+01  0.322212D+01 -0.495741D+00  0.275602D+01  0.666772D+01
      3  -0.796560D+00 -0.495741D+00  0.905819D+00 -0.488774D+00 -0.147040D+01
                96            97            98            99           100 
      1  -0.488774D+00 -0.157795D+01 -0.990826D+00  0.107829D+01  0.503504D+00
      2  -0.147040D+01 -0.990826D+00 -0.270075D+01  0.159096D+01  0.307343D+00
      3   0.126837D+01  0.107829D+01  0.159096D+01 -0.590724D+00  0.118372D+01
               101           102           103           104           105 
      1   0.307343D+00  0.118372D+01  0.603999D-01  0.804268D+00  0.842896D-01
      2   0.710499D+00  0.359788D+00  0.804268D+00  0.707802D+00  0.821324D+00
      3   0.359788D+00  0.118635D+01  0.842896D-01  0.821324D+00  0.199600D+00
               106           107           108           109           110 
      1   0.220755D+01  0.960735D-01  0.160415D+01  0.389276D+00 -0.290108D+01
      2   0.960735D-01  0.164955D+01  0.182879D+01 -0.290108D+01 -0.356136D+01
      3   0.160415D+01  0.182879D+01  0.751901D+01  0.200601D+01 -0.120281D+00
               111           112           113           114           115 
      1   0.200601D+01 -0.308809D+01 -0.449997D+01 -0.110212D+00  0.244492D+01
      2  -0.120281D+00 -0.449997D+01  0.293633D+01  0.265716D+01 -0.284892D+00
      3  -0.626720D+00 -0.110212D+00  0.265716D+01  0.969194D+00 -0.139122D+01
               116           117           118           119           120 
      1  -0.284892D+00 -0.139122D+01  0.753346D+00 -0.281866D+00 -0.115023D+01
      2   0.255286D+01  0.113493D+01 -0.281866D+00 -0.231962D+00 -0.271117D-01
      3   0.113493D+01 -0.677920D+01 -0.115023D+01 -0.271117D-01  0.293501D+00
               121           122           123           124           125 
      1  -0.361404D+00 -0.243419D+00 -0.102681D-01 -0.181752D+01 -0.404958D-02
      2  -0.243419D+00  0.461722D+00 -0.903754D+00 -0.404958D-02 -0.132309D+01
      3  -0.102681D-01 -0.903754D+00  0.506255D+00  0.656764D+00  0.243672D+00
               126           127           128           129           130 
      1   0.656764D+00  0.146935D+00  0.180209D+00  0.751307D+00  0.151998D+00
      2   0.243672D+00  0.180209D+00  0.247844D+00 -0.140807D-01  0.766703D+00
      3  -0.945325D+01  0.751307D+00 -0.140807D-01  0.170933D+00 -0.972578D-01
               131           132           133           134           135 
      1   0.766703D+00 -0.972578D-01  0.262730D+01 -0.395273D+00  0.185588D+01
      2  -0.658149D+00  0.680805D+00 -0.395273D+00  0.129799D+01 -0.842251D+00
      3   0.680805D+00 -0.508668D+00  0.185588D+01 -0.842251D+00  0.764888D+01
               136           137           138           139           140 
      1   0.671450D+01  0.250163D+01 -0.110955D+01  0.499056D+01  0.284650D+01
      2   0.250163D+01  0.227004D+01 -0.419846D+00  0.284650D+01  0.272426D+01
      3  -0.110955D+01 -0.419846D+00  0.115168D+01 -0.526822D+00 -0.852550D+00
               141           142           143           144           145 
      1  -0.526822D+00 -0.213656D+01 -0.500907D+00  0.133035D+01  0.238789D+01
      2  -0.852550D+00 -0.500907D+00 -0.113121D+01  0.562486D+00 -0.161259D+01
      3   0.102250D+01  0.133035D+01  0.562486D+00 -0.366430D+00 -0.848193D+00
               146           147           148           149           150 
      1  -0.161259D+01 -0.848193D+00 -0.321347D+01  0.346090D+01  0.691474D+00
      2   0.210040D+01  0.516195D+00  0.346090D+01 -0.646103D+01 -0.170255D+01
      3   0.516195D+00  0.614378D+00  0.691474D+00 -0.170255D+01 -0.169814D+01
               151           152           153 
      1  -0.191221D+01  0.974072D+00  0.105706D+01
      2   0.974072D+00 -0.217555D+01 -0.143082D+01
      3   0.105706D+01 -0.143082D+01 -0.779682D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.188413D+01 -0.110380D+01  0.177469D+01 -0.201567D+00 -0.566176D+01
      2   0.120587D+01  0.229114D+01  0.527677D+00  0.261669D+01  0.309956D+01
      3   0.984521D+01 -0.439604D+00  0.125620D+01  0.645132D+01 -0.489769D+01
                 6             7             8             9            10 
      1  -0.809164D+00  0.149165D+01  0.585118D+01  0.789823D+01  0.598756D+00
      2  -0.928018D+00 -0.590026D+01 -0.265702D+01 -0.382126D+01 -0.360777D+01
      3  -0.127963D+01  0.108455D+01 -0.229095D+01 -0.230852D+01 -0.541023D+01
                11            12            13            14            15 
      1  -0.450926D+00 -0.734213D-01 -0.180313D+01  0.661473D+00 -0.198444D+01
      2   0.120112D+01  0.243528D+01  0.488825D+00 -0.115765D+01 -0.776917D+00
      3  -0.849226D+01 -0.193100D+00 -0.209171D+01  0.332490D+01  0.263771D+01
                16            17            18            19            20 
      1   0.616107D+00  0.438032D+01  0.765758D+00  0.422845D+01 -0.230997D+01
      2  -0.532668D+01  0.578391D+00  0.980162D+01  0.233619D+01 -0.187686D+01
      3  -0.100732D+01  0.261850D+01  0.139766D+01 -0.102451D+02  0.288379D+01
                21            22            23            24            25 
      1  -0.471740D+01 -0.209008D+01  0.240770D+01 -0.166640D+01 -0.141196D+01
      2  -0.192186D+01 -0.232848D+01  0.152026D+01  0.403155D+01 -0.649102D+01
      3  -0.165120D+01  0.709140D+01  0.330087D+01  0.951468D+00 -0.148713D+01
                26            27            28            29            30 
      1   0.968787D+01 -0.515304D+01 -0.548010D+01 -0.100187D+00  0.177426D+01
      2   0.581010D+01 -0.446462D+01 -0.214369D+01 -0.131645D+01 -0.808619D+01
      3   0.247527D+01 -0.749353D+00  0.336976D+01 -0.215198D+01  0.130828D+00
                31            32            33            34            35 
      1  -0.185841D+01 -0.622925D+00  0.438386D+01 -0.469095D+01  0.222772D+02
      2  -0.495603D+00 -0.636874D+00 -0.179959D+01 -0.147361D+02  0.399823D+01
      3   0.287088D+01 -0.472353D+00 -0.317473D+00 -0.146457D+00 -0.980123D+00
                36            37            38            39            40 
      1  -0.500346D+00  0.105508D+01  0.191318D+01  0.152470D+01  0.226810D+01
      2   0.492668D+00 -0.384391D-01  0.168832D+00  0.416764D+01 -0.466290D+00
      3  -0.169943D+00 -0.287043D+01  0.176321D+01 -0.732114D-01  0.802714D+01
                41            42            43            44            45 
      1   0.677762D+01  0.157980D+01 -0.433091D+01  0.713052D+01 -0.595254D+01
      2   0.266589D+00 -0.215123D+01 -0.464120D+01 -0.757565D+00 -0.102984D+00
      3   0.555148D+01 -0.179848D+01  0.141595D+01 -0.307643D+01  0.185170D+01
                46            47            48            49            50 
      1   0.117723D+01 -0.248652D+01  0.288354D+01 -0.208259D+01  0.347451D+00
      2   0.159899D+01 -0.882873D+00  0.289631D+01 -0.462647D+00  0.161089D+01
      3   0.946149D+00 -0.135540D+01 -0.905961D+00  0.181738D+01  0.559142D+00
                51            52            53            54            55 
      1  -0.308219D+01  0.309857D+01 -0.476257D+01  0.105288D+02 -0.239217D+01
      2  -0.224796D+01  0.316271D+00 -0.497752D+01  0.862559D+01 -0.196907D+01
      3  -0.921910D+00 -0.318784D+01 -0.311673D+01  0.661803D+00 -0.261026D+01
                56            57            58            59            60 
      1   0.431059D+01  0.343291D+01  0.268793D+01 -0.280271D+01 -0.390182D+01
      2   0.251904D+01  0.368217D+01  0.114113D+01 -0.290026D+01 -0.287208D+01
      3  -0.255312D+01  0.102236D+01  0.288463D+01  0.116282D+01  0.294330D+00
                61            62            63            64            65 
      1   0.355288D+01 -0.372066D+01 -0.456301D+01  0.268158D+01 -0.436258D+00
      2   0.134449D+01 -0.391992D+01 -0.368743D+01  0.510891D+00 -0.102789D-01
      3   0.294506D+01  0.175431D+01  0.115674D+00  0.238297D+01 -0.138164D+02
                66            67            68            69            70 
      1  -0.305539D+01  0.481570D+00  0.787040D+00 -0.353454D+01  0.182953D+01
      2   0.125292D+02  0.690158D+00  0.404791D+00  0.413414D+01  0.499365D+01
      3   0.332947D+00 -0.182457D+01 -0.746276D+01  0.339076D+00  0.952403D+00
                71            72            73            74            75 
      1  -0.499374D+01  0.579919D+00  0.874757D+00 -0.102343D+01 -0.482074D+00
      2  -0.505909D+00 -0.575819D+00  0.113360D+01 -0.461780D+00  0.538894D+00
      3   0.108557D+01 -0.830591D+00  0.551701D+00 -0.154011D+01  0.444250D+00
                76            77            78            79            80 
      1   0.127480D+01 -0.545846D+01 -0.555285D+01  0.639551D+00 -0.382472D+01
      2  -0.894673D-01 -0.639502D+00  0.248195D+00 -0.162605D+01 -0.146995D+00
      3   0.441353D+01 -0.310801D+00  0.132233D+00  0.251927D+01  0.282984D+00
                81            82            83            84            85 
      1  -0.388362D+01 -0.613580D+00  0.359962D+00  0.268734D+00  0.716393D-01
      2   0.283595D-01 -0.236100D+01  0.185346D+00  0.583930D+00  0.227744D+00
      3  -0.406483D+00 -0.167671D+01 -0.172925D+01 -0.632365D+00  0.125066D+01
                86            87            88            89            90 
      1   0.208498D+01 -0.386605D+01  0.351181D+01 -0.407623D+01  0.104960D+02
      2  -0.793947D-01  0.317777D+00 -0.206021D+01 -0.433596D+00 -0.346646D+00
      3  -0.903248D+00  0.598974D+00 -0.419841D+01  0.103162D+01 -0.155675D+01
                91            92            93            94            95 
      1   0.129312D+01  0.868923D+00 -0.227584D+01  0.115140D+01  0.265778D+01
      2  -0.954553D+00 -0.114821D+01  0.190861D+01 -0.911206D+00 -0.225101D+01
      3   0.300749D+01 -0.547716D+00 -0.921129D+00  0.460814D+01 -0.104184D+01
                96            97            98            99           100 
      1  -0.408645D+01 -0.160674D+01 -0.122917D+01  0.155671D+01 -0.135511D+01
      2   0.207444D+01  0.603588D-01  0.181649D+01 -0.125298D+01  0.118869D-01
      3   0.182890D+00 -0.275173D+01  0.129963D+01  0.592787D+00  0.284736D+00
               101           102           103           104           105 
      1   0.782451D+00 -0.183227D+01  0.331394D-01 -0.992180D+00 -0.147005D+01
      2   0.131421D-01  0.154777D+01 -0.235500D-01 -0.181213D+00  0.492235D-01
      3  -0.159536D+01  0.148178D+01  0.246568D+00  0.100870D+01 -0.317150D+00
               106           107           108           109           110 
      1  -0.254927D+01  0.771390D+00 -0.110518D+02 -0.197131D+00 -0.125110D+01
      2  -0.262532D+01  0.128850D+01  0.474065D+01  0.834812D+01 -0.329169D+00
      3   0.377034D+01 -0.163233D+01  0.149980D+01  0.894596D+01  0.102579D+02
               111           112           113           114           115 
      1  -0.239546D+00 -0.156720D+01  0.234680D+01 -0.464454D+00 -0.181254D+01
      2  -0.725303D+00 -0.288553D+00  0.823754D+01  0.250083D+01 -0.779228D+01
      3  -0.841428D+00  0.195905D+02 -0.681922D+01 -0.772911D+01 -0.334836D+00
               116           117           118           119           120 
      1   0.297249D+01 -0.325071D+01  0.108999D+00  0.429129D+00  0.283048D+00
      2   0.350762D+01 -0.175228D+02 -0.621915D+00 -0.435853D+00  0.110901D+01
      3  -0.765534D+01 -0.251045D+01  0.921433D+00 -0.420061D+00  0.193090D+00
               121           122           123           124           125 
      1   0.680853D+00 -0.641816D+00 -0.295928D+00 -0.178732D+00  0.355328D+01
      2   0.190333D+00 -0.129167D+01  0.362354D+00 -0.373834D+01  0.439191D+00
      3   0.225130D+01 -0.921103D+00  0.136878D+01 -0.130893D+00  0.188480D+01
               126           127           128           129           130 
      1  -0.904011D+00  0.584665D+00 -0.249596D-01  0.278676D+00  0.595148D-01
      2  -0.998865D+01  0.225412D+01 -0.245758D+00  0.190637D+01 -0.170798D+00
      3  -0.401414D+00 -0.414195D+00 -0.149818D+01 -0.262062D+00 -0.891433D+00
               131           132           133           134           135 
      1   0.347862D-01 -0.106564D+01  0.762950D+00  0.287911D+01  0.407636D+01
      2   0.142916D+01 -0.157133D+01  0.827059D+00 -0.207660D+01  0.212469D+02
      3   0.121844D+01 -0.146450D+01 -0.573486D+00 -0.376226D+01  0.151133D+01
               136           137           138           139           140 
      1   0.781912D-01 -0.458650D-02 -0.545317D+00  0.262081D-01 -0.389805D+00
      2  -0.323271D+01 -0.150152D+01  0.506377D+01 -0.154874D+01 -0.265072D+01
      3  -0.990297D+01 -0.101363D+02  0.187713D+01 -0.797920D+01 -0.103192D+02
               141           142           143           144           145 
      1  -0.126853D+01  0.401663D+00  0.109641D+01  0.148803D+00 -0.758622D+00
      2   0.429707D+01  0.243533D+01  0.164131D+01 -0.115853D+01 -0.229638D+01
      3   0.286929D+01  0.195780D+01  0.398718D+01 -0.191851D+01  0.281472D+01
               146           147           148           149           150 
      1   0.527510D+00  0.100070D+01  0.693684D+00 -0.129110D+01 -0.372495D+01
      2   0.158526D+01  0.264651D+01  0.143046D+01 -0.478049D+01 -0.566845D+01
      3  -0.650175D+01 -0.101338D+01 -0.499783D+01  0.170815D+02  0.462812D+01
               151           152           153 
      1   0.736122D+00 -0.120042D+00 -0.103627D+01
      2   0.124156D+01 -0.366438D+01 -0.218871D+01
      3  -0.827272D+00  0.609429D+01  0.322126D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.246674D+01  0.635809D+01  0.199050D+01  0.370377D+01 -0.362821D+01
      2  -0.212707D+01 -0.127677D+02  0.172558D+01 -0.108772D+02 -0.474983D+01
      3  -0.339673D+00  0.640961D+01 -0.371609D+01  0.717345D+01  0.837804D+01
      4   0.415581D+00 -0.999808D+01  0.183320D+01 -0.993199D+01 -0.111234D+02
      5   0.262725D+01  0.323586D+01 -0.258029D+01  0.302753D+01  0.394293D+01
      6   0.338664D+01  0.189706D+01 -0.499393D+01  0.279205D+01  0.109976D+02
                 6             7             8             9            10 
      1  -0.295941D+01  0.258511D+01 -0.272548D+01  0.588691D+01 -0.112337D+02
      2   0.799095D+01  0.342175D+01  0.103822D+02  0.233216D+01  0.366171D+01
      3  -0.503155D+01 -0.600686D+01 -0.765676D+01 -0.821908D+01  0.757196D+01
      4   0.424163D+01  0.220163D+01  0.729919D+01 -0.932876D+01  0.606428D+01
      5  -0.211011D+01 -0.299791D+01 -0.469857D+01 -0.100686D+02 -0.644420D+01
      6  -0.127583D+01 -0.658080D+01 -0.400143D+01 -0.149638D+02 -0.281880D+00
                11            12            13            14            15 
      1   0.532775D+01 -0.330748D+01  0.865357D+01  0.102604D+02  0.151016D+01
      2  -0.497003D+00  0.172890D+01 -0.328785D+01 -0.503423D+01 -0.185875D+01
      3  -0.483074D+01  0.157858D+01 -0.536572D+01 -0.522617D+01  0.348593D+00
      4   0.145335D+01  0.115386D+01  0.742349D+01 -0.425931D+01 -0.176749D+01
      5   0.166530D+01 -0.131479D+01  0.870990D+00 -0.213180D+01 -0.132190D+01
      6  -0.384765D+00  0.816951D+00 -0.124192D+01 -0.549035D+00  0.109813D+01
                16            17            18            19            20 
      1  -0.808579D+01  0.190825D+01  0.823935D+01  0.624702D-01 -0.476447D+01
      2   0.231919D+01 -0.267722D+01  0.884965D+01 -0.157513D+01  0.869463D+01
      3   0.576660D+01  0.768974D+00 -0.170890D+02  0.151266D+01 -0.393015D+01
      4   0.565157D+00 -0.265351D+01 -0.128545D+01  0.420239D+01 -0.134344D+02
      5   0.336888D+01 -0.126740D+01  0.221738D+02  0.303296D+01 -0.478817D+01
      6  -0.284212D+00  0.437793D+01 -0.380622D+00 -0.462997D+01  0.329178D+01
                21            22            23            24            25 
      1   0.222448D+01  0.388500D+01 -0.571494D+01 -0.108289D+01  0.118297D+00
      2   0.228275D+01  0.389653D+00  0.109734D+02 -0.268588D+01  0.315076D+01
      3  -0.450722D+01 -0.427465D+01 -0.525851D+01  0.376877D+01 -0.326906D+01
      4  -0.348234D+01 -0.190284D+01  0.899457D+01  0.173790D+01 -0.600399D+01
      5  -0.668467D+01 -0.436610D+01  0.222425D+01  0.762976D+01 -0.700174D+01
      6   0.811886D+01  0.379246D+01 -0.410516D+01 -0.452551D+01  0.858510D+01
                26            27            28            29            30 
      1  -0.528988D+01  0.741040D+01 -0.423368D+02 -0.718205D+01 -0.230401D+00
      2  -0.276799D+01 -0.412087D+01  0.229375D+02 -0.725487D+00 -0.670228D-01
      3   0.805787D+01 -0.328954D+01  0.193993D+02  0.790753D+01  0.297424D+00
      4  -0.582600D+00  0.161580D+02 -0.232639D+02 -0.152657D+02  0.118040D+01
      5   0.116392D+02 -0.686234D+01  0.188907D+01  0.141341D+01 -0.110283D+02
      6  -0.149047D+02  0.116913D+02 -0.131303D+01 -0.535017D+00 -0.339348D+01
                31            32            33            34            35 
      1  -0.176649D+02 -0.724694D+00  0.100751D+00  0.693984D+00  0.690714D+00
      2   0.113915D+02 -0.439207D+01 -0.652864D+00 -0.954536D+00  0.716518D+00
      3   0.627334D+01  0.511677D+01  0.552113D+00  0.260552D+00 -0.140723D+01
      4  -0.653180D+01 -0.145691D+01  0.346720D+00  0.199930D+01  0.114052D+01
      5   0.192710D+01  0.193278D-01 -0.280703D+01  0.302935D+01 -0.130189D+01
      6  -0.142294D+01  0.185988D+01 -0.366253D+01 -0.112493D+01  0.487431D+01
                36            37            38            39            40 
      1  -0.953066D+01  0.266200D+01 -0.370589D+00  0.239229D+01 -0.108063D+02
      2  -0.161020D+01  0.205109D+01 -0.250253D+01 -0.230422D+01  0.553676D+01
      3   0.111409D+02 -0.471309D+01  0.287311D+01 -0.880733D-01  0.526950D+01
      4  -0.354333D+01 -0.624669D+00  0.523944D+01 -0.368952D+00 -0.869489D+00
      5   0.156299D+01  0.269084D+00 -0.809861D+00  0.257182D+01 -0.284937D+00
      6  -0.644959D+00  0.170786D+01 -0.269276D+01  0.100682D+00 -0.146518D+01
                41            42            43            44            45 
      1   0.903062D+01  0.928708D+00  0.933319D+01 -0.988944D+00  0.135542D+02
      2  -0.105076D+02 -0.572947D+01 -0.476698D+01 -0.524904D+01 -0.835964D+01
      3   0.147702D+01  0.480077D+01 -0.456621D+01  0.623798D+01 -0.519454D+01
      4  -0.529657D+01 -0.129019D+01  0.229225D+01 -0.176525D+01  0.344350D+01
      5  -0.137065D+01 -0.172603D+01 -0.263990D+01  0.150592D+01 -0.371481D+01
      6  -0.107679D+02 -0.814383D+01  0.535262D+01 -0.145436D+02  0.104760D+02
                46            47            48            49            50 
      1   0.100220D+01  0.320400D+00  0.127596D+01  0.993868D+00 -0.696300D+01
      2  -0.112637D+01 -0.176161D+01 -0.179067D+01 -0.227299D+01  0.757379D+01
      3   0.124168D+00  0.144121D+01  0.514710D+00  0.127912D+01 -0.610797D+00
      4  -0.607848D+01  0.927127D+01 -0.524054D+01  0.525907D+01 -0.789716D+01
      5   0.563566D+01 -0.310625D+01  0.799660D+01 -0.112811D+01  0.392901D+01
      6  -0.457309D+01  0.307359D+01 -0.441498D+01  0.291679D+01 -0.755894D+01
                51            52            53            54            55 
      1   0.486650D+01  0.240442D+01  0.930293D+01 -0.122445D+02  0.804136D+01
      2  -0.414678D+01 -0.326147D+01 -0.584923D+01 -0.208281D+01 -0.358246D-01
      3  -0.719716D+00  0.857050D+00 -0.345369D+01  0.143274D+02 -0.800554D+01
      4   0.494192D+01 -0.737965D+01  0.100363D+02 -0.125596D+02 -0.167675D+02
      5  -0.414489D+01  0.898381D+01 -0.914626D+01  0.169768D+02 -0.840741D+01
      6   0.979414D+01 -0.691322D+01  0.160502D+02 -0.223697D+02  0.654615D+01
                56            57            58            59            60 
      1  -0.413388D+00 -0.220536D+01  0.641198D+00 -0.726449D+01 -0.229198D+01
      2  -0.622946D+01 -0.831914D-01 -0.598159D+01  0.147996D+02  0.486980D+01
      3   0.664285D+01  0.228856D+01  0.534039D+01 -0.753508D+01 -0.257783D+01
      4   0.186638D+02  0.728498D+01  0.126351D+02 -0.169756D+02 -0.646736D+01
      5   0.560637D+01  0.792752D+01  0.402303D+01 -0.625980D+01 -0.539069D+01
      6  -0.587751D+01 -0.602905D+01 -0.483237D+01  0.887480D+01  0.848935D+01
                61            62            63            64            65 
      1  -0.278351D+01 -0.360398D+01 -0.424476D+01  0.866899D+02  0.156999D+02
      2   0.179813D+00  0.702835D+01  0.196827D+01 -0.469960D+02 -0.398676D+01
      3   0.260370D+01 -0.342437D+01  0.227649D+01 -0.396939D+02 -0.117132D+02
      4   0.106302D+02 -0.109169D+02 -0.105812D+02  0.363580D+02  0.278939D+02
      5   0.883131D+01 -0.872788D+01 -0.883673D+01 -0.320218D+01 -0.117793D+01
      6  -0.733797D+01  0.123943D+02  0.959619D+01  0.153181D+01  0.412998D+00
                66            67            68            69            70 
      1  -0.130436D+01  0.171981D+02  0.101087D+02  0.125665D+00 -0.184406D+01
      2   0.118727D+01 -0.575232D+01  0.163340D+01 -0.205800D+00  0.197594D+01
      3   0.117092D+00 -0.114458D+02 -0.117421D+02  0.801352D-01 -0.131885D+00
      4  -0.638411D+00  0.288242D+02  0.202958D+02 -0.367629D+00 -0.619627D+00
      5   0.209321D+02 -0.102869D+01 -0.670468D+00  0.643477D+01  0.251046D+02
      6   0.520302D+01  0.576721D+00 -0.834422D+00  0.636638D+01  0.570859D+01
                71            72            73            74            75 
      1   0.181848D+00  0.126371D+02  0.301122D+00 -0.183794D+01 -0.705201D+00
      2  -0.117607D+00 -0.103949D+02  0.136765D+01  0.316431D+01  0.655653D+00
      3  -0.642409D-01 -0.224221D+01 -0.166877D+01 -0.132637D+01  0.495483D-01
      4  -0.310521D+00  0.892078D+01  0.167713D+01  0.837692D+01  0.248966D+01
      5   0.741148D+01 -0.230198D+01  0.679980D+00  0.163566D+01  0.243463D+01
      6   0.731770D+01 -0.133217D+00  0.246920D+01  0.137537D+01  0.535473D+00
                76            77            78            79            80 
      1   0.190362D+01 -0.232639D+02 -0.714759D+01 -0.105728D+01 -0.100661D+02
      2  -0.844566D+00  0.334078D+02  0.899770D+01  0.626485D+00  0.117487D+02
      3  -0.105905D+01 -0.101439D+02 -0.185011D+01  0.430791D+00 -0.168258D+01
      4   0.594321D+01  0.169778D+01  0.816038D+00  0.360725D+01  0.112612D+01
      5   0.129904D+01  0.126329D+01  0.725206D+00  0.219611D+01  0.761620D+00
      6   0.189403D+00  0.149951D+02  0.111256D+02 -0.943405D+00  0.141575D+02
                81            82            83            84            85 
      1  -0.976747D+01  0.313102D-01 -0.149642D+00 -0.784288D+00  0.225803D+01
      2   0.637198D+01 -0.154372D+01 -0.236069D+00  0.188537D+00 -0.231345D+01
      3   0.339548D+01  0.151241D+01  0.385711D+00  0.595750D+00  0.554182D-01
      4   0.812700D-01 -0.256452D+01  0.341259D+01 -0.337479D+01  0.226637D+01
      5   0.109241D+01  0.737073D+00 -0.194946D+01  0.443329D+01 -0.786542D+00
      6   0.979274D+01 -0.316700D+01  0.872917D+00 -0.157789D+01  0.103675D+01
                86            87            88            89            90 
      1  -0.101773D+02  0.538981D+01 -0.281855D+01  0.105842D+02 -0.177186D+02
      2   0.979681D+01 -0.389384D+01  0.302190D+00 -0.630862D+01  0.126250D+01
      3   0.380497D+00 -0.149596D+01  0.251636D+01 -0.427559D+01  0.164561D+02
      4  -0.164751D+01  0.911129D+00 -0.552266D+01  0.123063D+01 -0.226331D+01
      5   0.960942D+00 -0.618987D-01  0.438918D+01 -0.122198D+01  0.189960D+01
      6  -0.668936D+01  0.933357D+01 -0.412910D+01  0.143343D+02 -0.201002D+02
                91            92            93            94            95 
      1   0.171527D+01 -0.295414D+01 -0.409596D+00 -0.257668D+01 -0.149757D+02
      2   0.551208D+01  0.109303D+02 -0.142074D+01  0.990243D+01  0.317087D+02
      3  -0.722735D+01 -0.797612D+01  0.183033D+01 -0.732575D+01 -0.167330D+02
      4   0.126981D+02  0.160959D+02 -0.372337D+01  0.151209D+02  0.208864D+02
      5  -0.325887D+01 -0.222713D+01  0.352502D+01 -0.208384D+01 -0.377734D+01
      6  -0.376537D+01 -0.324067D+01  0.388771D+01 -0.307908D+01 -0.867568D+01
                96            97            98            99           100 
      1   0.307845D+01 -0.700517D+00  0.570319D+01 -0.430640D+01  0.560747D+00
      2  -0.622149D+01 -0.185805D+01 -0.100691D+02  0.354532D+01 -0.242107D+01
      3   0.314304D+01  0.255857D+01  0.436590D+01  0.761084D+00  0.186033D+01
      4  -0.457562D+01 -0.643553D+01 -0.804623D+01  0.582165D+01  0.253302D+01
      5   0.303060D+01  0.396320D+01  0.413116D+01 -0.270268D+01  0.394966D+01
      6   0.752337D+01  0.497971D+01  0.926653D+01 -0.506551D+01  0.306125D+01
               101           102           103           104           105 
      1  -0.972526D+00  0.395372D+00 -0.186903D+01 -0.310111D+01 -0.269437D+01
      2   0.217861D+01 -0.222055D+01  0.294624D+01  0.271924D+01  0.242427D+01
      3  -0.120608D+01  0.182518D+01 -0.107721D+01  0.381872D+00  0.270096D+00
      4   0.457159D+01  0.326783D+01  0.301888D+01  0.304607D+01  0.147231D+01
      5   0.118911D+01  0.730835D+01 -0.281685D+00  0.124666D+01  0.647031D-01
      6   0.142610D+01  0.304888D+01  0.879778D+00  0.294666D+01  0.601796D+01
               106           107           108           109           110 
      1   0.764011D+00 -0.584910D+01 -0.145272D+02  0.977664D+00 -0.186671D+02
      2  -0.351874D+01  0.345643D+01 -0.763610D+01 -0.173016D+01  0.130026D+02
      3   0.275473D+01  0.239267D+01  0.221633D+02  0.752492D+00  0.566447D+01
      4   0.518173D+01  0.383415D+01  0.703971D+01 -0.186970D+02 -0.191036D+02
      5   0.708481D+01  0.344846D+01  0.124725D+02  0.152225D+02 -0.986004D+00
      6   0.532788D+01  0.971133D+01  0.216307D+02 -0.198648D+01  0.246089D+01
               111           112           113           114           115 
      1   0.108060D+02 -0.240366D+02 -0.185571D+02  0.212485D+01  0.142492D+02
      2  -0.425728D+01  0.172941D+02  0.295179D+01 -0.487454D+01 -0.322921D+01
      3  -0.654869D+01  0.674241D+01  0.156053D+02  0.274969D+01 -0.110200D+02
      4  -0.109149D+01 -0.269206D+02  0.164007D+02  0.148430D+02 -0.147417D+01
      5  -0.316729D+01 -0.915524D+00  0.160307D+02  0.452409D+01 -0.671080D+01
      6   0.545589D+00  0.339548D+01 -0.489204D+01 -0.191466D+01  0.177633D+01
               116           117           118           119           120 
      1   0.134578D+01  0.162950D+01  0.331172D+01 -0.103680D+01 -0.275381D+01
      2  -0.490206D+01  0.478739D+01 -0.508672D+01  0.392477D+00  0.140782D+01
      3   0.355628D+01 -0.641689D+01  0.177500D+01  0.644319D+00  0.134599D+01
      4   0.146783D+02  0.519191D+01 -0.955451D+00  0.170024D+01 -0.604662D-01
      5   0.556451D+01 -0.313486D+02 -0.254781D+01 -0.442319D+00  0.763822D+01
      6  -0.280452D+01  0.668996D+01 -0.175482D+00 -0.191505D+00  0.285183D-02
               121           122           123           124           125 
      1  -0.451536D+00 -0.476555D+01  0.847283D+00 -0.422135D+01  0.130023D+01
      2  -0.385321D-01  0.759326D+00  0.574834D+00  0.455046D+01 -0.124002D+00
      3   0.490068D+00  0.400622D+01 -0.142212D+01 -0.329119D+00 -0.117623D+01
      4   0.154623D+01  0.100747D+01 -0.194516D+01  0.862659D+00 -0.230544D+01
      5  -0.536845D+00 -0.248648D+01  0.113691D+01  0.674795D+01  0.580762D+00
      6  -0.359057D+00 -0.422317D+00  0.738826D+01 -0.808122D-01  0.446037D+01
               126           127           128           129           130 
      1  -0.188203D+02  0.230765D+01  0.120886D+01  0.471791D+01  0.177264D+01
      2  -0.173645D+02 -0.303670D+01 -0.795726D+00 -0.301008D+01 -0.156953D+01
      3   0.361847D+02  0.729045D+00 -0.413133D+00 -0.170783D+01 -0.203112D+00
      4   0.123702D+01  0.955883D+00  0.302643D+01 -0.126115D+01  0.576982D+01
      5  -0.211289D+02  0.399060D+01 -0.688430D+00  0.680637D+01 -0.709049D+00
      6  -0.445098D-01 -0.105508D+01 -0.504752D+00 -0.569247D+00  0.714242D+00
               131           132           133           134           135 
      1   0.855053D+00  0.534351D+00  0.116723D+02  0.285950D+00 -0.516130D+01
      2  -0.693561D-01 -0.161675D+00 -0.934532D+01 -0.890027D-01 -0.128952D+02
      3  -0.785696D+00 -0.372676D+00 -0.232701D+01 -0.196947D+00  0.180565D+02
      4  -0.357724D+01  0.298169D+01 -0.369760D+01  0.664248D+01 -0.401541D+01
      5   0.279221D+01 -0.296792D+01  0.145920D+02 -0.441042D+01  0.401085D+02
      6  -0.117216D+01  0.527251D+01 -0.220309D+01  0.600143D+01 -0.914363D+01
               136           137           138           139           140 
      1   0.460635D+02  0.171151D+02 -0.726945D+01  0.295857D+02  0.139355D+02
      2  -0.241699D+02 -0.924673D+01  0.417095D+01 -0.150908D+02 -0.399803D+01
      3  -0.218936D+02 -0.786841D+01  0.309850D+01 -0.144949D+02 -0.993743D+01
      4   0.165534D+02  0.165906D+02 -0.277945D+01  0.203811D+02  0.183412D+02
      5  -0.823165D+01 -0.304751D+01  0.935723D+01 -0.440666D+01 -0.540068D+01
      6  -0.167466D+00 -0.232343D-01  0.246770D+00 -0.693306D+00 -0.390552D+00
               141           142           143           144           145 
      1  -0.337663D+01 -0.120274D+02 -0.282635D+01  0.538073D+01  0.139642D+02
      2   0.232431D+01  0.689528D+01  0.233014D+01 -0.499094D+01 -0.397513D+01
      3   0.105232D+01  0.513209D+01  0.496218D+00 -0.389787D+00 -0.998906D+01
      4  -0.537727D+01 -0.360325D+01 -0.682598D+01  0.374325D+01 -0.123870D+02
      5   0.761850D+01  0.106761D+02  0.432744D+01 -0.379429D+01 -0.559328D+01
      6   0.213757D+01  0.113219D+01  0.259808D+01 -0.181470D+01  0.241192D+01
               146           147           148           149           150 
      1  -0.752241D+01 -0.436787D+01 -0.132702D+02  0.444781D+01  0.372932D+00
      2   0.306588D+00  0.157397D+01  0.727195D+00  0.134233D+02  0.259604D+01
      3   0.721582D+01  0.279390D+01  0.125430D+02 -0.178711D+02 -0.296897D+01
      4   0.172526D+02  0.432115D+01  0.254089D+02 -0.383169D+02 -0.101531D+02
      5   0.398748D+01  0.546406D+01  0.538029D+01 -0.103121D+02 -0.106341D+02
      6  -0.136050D+01 -0.152821D+01 -0.285133D+01  0.589366D+01  0.659540D+01
               151           152           153 
      1  -0.851449D+01  0.373358D+00  0.503097D+00
      2   0.328011D+01  0.281808D+01 -0.742097D+00
      3   0.523438D+01 -0.319144D+01  0.238999D+00
      4   0.739628D+01 -0.125813D+02 -0.806003D+01
      5   0.782360D+01 -0.847677D+01 -0.517909D+01
      6  -0.314553D+01  0.645718D+01  0.429404D+01
 Leave Link  716 at Fri Jul 16 19:42:52 2021, MaxMem=  5637144576 cpu:               3.8 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.874405D+02  0.119355D+00  0.348496D+00
      2   0.119355D+00  0.757470D+02 -0.489885D+00
      3   0.348496D+00 -0.489885D+00  0.616199D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.175796D+01 -0.641087D+00 -0.425015D+01
      2   0.646846D+00  0.292105D+00  0.213347D+02
      3   0.660551D+01 -0.138923D+02 -0.704308D+00
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.336377D+02 -0.208693D+02 -0.589877D+00
      2  -0.179162D+02  0.195176D+02 -0.450620D+01
      3  -0.157215D+02  0.135166D+01  0.509608D+01
      4  -0.103240D+02  0.273278D+02  0.192729D+01
      5   0.394732D+01  0.204116D+00  0.470928D+02
      6  -0.119657D+01 -0.315131D+01  0.100273D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.228285D+01 -0.983073D+00  0.866303D+00 -0.157922D+00 -0.409332D+01
      2  -0.983073D+00 -0.324598D+01  0.127805D+00 -0.409332D+01 -0.775006D+00
      3   0.866303D+00  0.127805D+00 -0.171103D+01  0.246989D+00  0.219874D+01
                 6             7             8             9            10 
      1   0.246989D+00  0.141310D+01  0.477601D+00 -0.209543D+01 -0.833195D+00
      2   0.219874D+01  0.477601D+00  0.301677D+01 -0.983999D+00  0.218192D+01
      3  -0.594482D+00 -0.209543D+01 -0.983999D+00 -0.646220D+01 -0.102145D+01
                11            12            13            14            15 
      1   0.218192D+01 -0.102145D+01  0.201993D+01  0.276154D+01  0.273544D+00
      2   0.322742D+01  0.245739D+00  0.276154D+01 -0.268138D+01 -0.135262D+01
      3   0.245739D+00  0.379396D-01  0.273544D+00 -0.135262D+01 -0.836674D+00
                16            17            18            19            20 
      1  -0.186279D+01  0.276745D+00  0.767451D+00 -0.106673D+01 -0.173880D+01
      2   0.276745D+00 -0.156441D+01 -0.907120D+00 -0.173880D+01  0.439871D+01
      3   0.767451D+00 -0.907120D+00  0.945670D+01 -0.996950D+00  0.534789D+00
                21            22            23            24            25 
      1  -0.996950D+00 -0.171345D+01  0.231638D+01  0.698481D+00 -0.106118D+01
      2   0.534789D+00  0.231638D+01  0.122237D+01 -0.675835D+00  0.154506D+01
      3   0.224161D+01  0.698481D+00 -0.675835D+00 -0.217753D+01  0.246607D+01
                26            27            28            29            30 
      1   0.154506D+01  0.246607D+01  0.486251D+01  0.462574D+01  0.575645D-01
      2  -0.265383D-01 -0.312670D+01  0.462574D+01 -0.298749D+01 -0.309742D+00
      3  -0.312670D+01  0.345129D+01  0.575645D-01 -0.309742D+00 -0.447983D+00
                31            32            33            34            35 
      1   0.322325D+01  0.205627D+00 -0.549605D+00  0.653849D+00 -0.867411D+00
      2   0.205627D+00 -0.267522D+01 -0.284884D+00 -0.867411D+00 -0.438432D+00
      3  -0.549605D+00 -0.284884D+00 -0.215276D-01 -0.908105D-01  0.112177D+00
                36            37            38            39            40 
      1  -0.908105D-01  0.323012D+00 -0.307429D+01  0.152765D-01 -0.188037D+01
      2   0.112177D+00 -0.307429D+01  0.127093D+01  0.502687D+00 -0.526310D+00
      3   0.397471D-02  0.152765D-01  0.502687D+00 -0.281347D+00  0.422762D+00
                41            42            43            44            45 
      1  -0.526310D+00  0.422762D+00 -0.113791D+01  0.126413D+01 -0.814249D+00
      2   0.529228D+01  0.156422D+01  0.126413D+01  0.225010D+01  0.328474D+01
      3   0.156422D+01  0.278803D+01 -0.814249D+00  0.328474D+01 -0.423876D+01
                46            47            48            49            50 
      1  -0.864864D+00  0.112945D+01 -0.129089D+01  0.785830D+00 -0.849720D+00
      2   0.112945D+01 -0.155462D+01  0.608463D+00 -0.849720D+00  0.208744D+01
      3  -0.129089D+01  0.608463D+00 -0.123385D+01  0.348711D+00 -0.154089D+01
                51            52            53            54            55 
      1   0.348711D+00 -0.231277D+01  0.628992D+00 -0.192534D+01 -0.374554D+01
      2  -0.154089D+01  0.628992D+00 -0.311538D+01  0.305618D+01  0.249341D+01
      3   0.176543D+01 -0.192534D+01  0.305618D+01 -0.623201D+01  0.161679D+01
                56            57            58            59            60 
      1   0.249341D+01  0.161679D+01  0.203498D+01 -0.205898D+01 -0.741045D+00
      2  -0.324449D+01 -0.100744D+01 -0.205898D+01  0.394239D+01  0.156140D+01
      3  -0.100744D+01 -0.149069D+01 -0.741045D+00  0.156140D+01  0.156640D+01
                61            62            63            64            65 
      1   0.265656D+01 -0.164163D+01 -0.180656D+01 -0.150436D+02 -0.426168D+01
      2  -0.164163D+01  0.266013D+01  0.237791D+01 -0.426168D+01 -0.175081D+01
      3  -0.180656D+01  0.237791D+01  0.215065D+01  0.352607D+00  0.568917D-01
                66            67            68            69            70 
      1   0.352607D+00 -0.344468D+01 -0.415877D+01  0.114782D+00  0.377192D-01
      2   0.568917D-01 -0.415877D+01 -0.284628D+01  0.127799D+00  0.232324D+00
      3  -0.153914D+01  0.114782D+00  0.127799D+00 -0.659996D+00 -0.371895D+01
                71            72            73            74            75 
      1   0.232324D+00 -0.371895D+01 -0.290804D+00 -0.835730D+00 -0.681673D+00
      2   0.171165D+00 -0.142095D+01 -0.835730D+00 -0.999591D+00 -0.291443D+00
      3  -0.142095D+01  0.300814D+00 -0.681673D+00 -0.291443D+00 -0.649131D-01
                76            77            78            79            80 
      1  -0.148299D+01 -0.526058D-01 -0.622537D-01 -0.909626D+00 -0.271167D+00
      2  -0.526058D-01 -0.750336D+01 -0.228360D+01 -0.271167D+00 -0.380027D+01
      3  -0.622537D-01 -0.228360D+01 -0.200039D+01  0.195782D+00 -0.255054D+01
                81            82            83            84            85 
      1   0.195782D+00  0.968702D+00 -0.102821D+00  0.104593D+01 -0.200171D+00
      2  -0.255054D+01 -0.102821D+00  0.128334D+00 -0.266672D+00  0.565159D+00
      3  -0.177411D+01  0.104593D+01 -0.266672D+00  0.793473D+00 -0.294796D+00
                86            87            88            89            90 
      1   0.565159D+00 -0.294796D+00  0.268752D+01 -0.538852D+00  0.830758D+00
      2  -0.244191D+01  0.145565D+01 -0.538852D+00  0.267707D+01 -0.292946D+01
      3   0.145565D+01 -0.158837D+01  0.830758D+00 -0.292946D+01  0.614504D+01
                91            92            93            94            95 
      1   0.251221D+01  0.237225D+01 -0.796560D+00  0.227562D+01  0.275602D+01
      2   0.237225D+01  0.322212D+01 -0.495741D+00  0.275602D+01  0.666772D+01
      3  -0.796560D+00 -0.495741D+00  0.905819D+00 -0.488774D+00 -0.147040D+01
                96            97            98            99           100 
      1  -0.488774D+00 -0.157795D+01 -0.990826D+00  0.107829D+01  0.503504D+00
      2  -0.147040D+01 -0.990826D+00 -0.270075D+01  0.159096D+01  0.307343D+00
      3   0.126837D+01  0.107829D+01  0.159096D+01 -0.590724D+00  0.118372D+01
               101           102           103           104           105 
      1   0.307343D+00  0.118372D+01  0.603999D-01  0.804268D+00  0.842896D-01
      2   0.710499D+00  0.359788D+00  0.804268D+00  0.707802D+00  0.821324D+00
      3   0.359788D+00  0.118635D+01  0.842896D-01  0.821324D+00  0.199600D+00
               106           107           108           109           110 
      1   0.220755D+01  0.960735D-01  0.160415D+01  0.389276D+00 -0.290108D+01
      2   0.960735D-01  0.164955D+01  0.182879D+01 -0.290108D+01 -0.356136D+01
      3   0.160415D+01  0.182879D+01  0.751901D+01  0.200601D+01 -0.120281D+00
               111           112           113           114           115 
      1   0.200601D+01 -0.308809D+01 -0.449997D+01 -0.110212D+00  0.244492D+01
      2  -0.120281D+00 -0.449997D+01  0.293633D+01  0.265716D+01 -0.284892D+00
      3  -0.626720D+00 -0.110212D+00  0.265716D+01  0.969194D+00 -0.139122D+01
               116           117           118           119           120 
      1  -0.284892D+00 -0.139122D+01  0.753346D+00 -0.281866D+00 -0.115023D+01
      2   0.255286D+01  0.113493D+01 -0.281866D+00 -0.231962D+00 -0.271117D-01
      3   0.113493D+01 -0.677920D+01 -0.115023D+01 -0.271117D-01  0.293501D+00
               121           122           123           124           125 
      1  -0.361404D+00 -0.243419D+00 -0.102681D-01 -0.181752D+01 -0.404958D-02
      2  -0.243419D+00  0.461722D+00 -0.903754D+00 -0.404958D-02 -0.132309D+01
      3  -0.102681D-01 -0.903754D+00  0.506255D+00  0.656764D+00  0.243672D+00
               126           127           128           129           130 
      1   0.656764D+00  0.146935D+00  0.180209D+00  0.751307D+00  0.151998D+00
      2   0.243672D+00  0.180209D+00  0.247844D+00 -0.140807D-01  0.766703D+00
      3  -0.945325D+01  0.751307D+00 -0.140807D-01  0.170933D+00 -0.972578D-01
               131           132           133           134           135 
      1   0.766703D+00 -0.972578D-01  0.262730D+01 -0.395273D+00  0.185588D+01
      2  -0.658149D+00  0.680805D+00 -0.395273D+00  0.129799D+01 -0.842251D+00
      3   0.680805D+00 -0.508668D+00  0.185588D+01 -0.842251D+00  0.764888D+01
               136           137           138           139           140 
      1   0.671450D+01  0.250163D+01 -0.110955D+01  0.499056D+01  0.284650D+01
      2   0.250163D+01  0.227004D+01 -0.419846D+00  0.284650D+01  0.272426D+01
      3  -0.110955D+01 -0.419846D+00  0.115168D+01 -0.526822D+00 -0.852550D+00
               141           142           143           144           145 
      1  -0.526822D+00 -0.213656D+01 -0.500907D+00  0.133035D+01  0.238789D+01
      2  -0.852550D+00 -0.500907D+00 -0.113121D+01  0.562486D+00 -0.161259D+01
      3   0.102250D+01  0.133035D+01  0.562486D+00 -0.366430D+00 -0.848193D+00
               146           147           148           149           150 
      1  -0.161259D+01 -0.848193D+00 -0.321347D+01  0.346090D+01  0.691474D+00
      2   0.210040D+01  0.516195D+00  0.346090D+01 -0.646103D+01 -0.170255D+01
      3   0.516195D+00  0.614378D+00  0.691474D+00 -0.170255D+01 -0.169814D+01
               151           152           153 
      1  -0.191221D+01  0.974072D+00  0.105706D+01
      2   0.974072D+00 -0.217555D+01 -0.143082D+01
      3   0.105706D+01 -0.143082D+01 -0.779682D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.188413D+01 -0.110380D+01  0.177469D+01 -0.201567D+00 -0.566176D+01
      2   0.120587D+01  0.229114D+01  0.527677D+00  0.261669D+01  0.309956D+01
      3   0.984521D+01 -0.439604D+00  0.125620D+01  0.645132D+01 -0.489769D+01
                 6             7             8             9            10 
      1  -0.809164D+00  0.149165D+01  0.585118D+01  0.789823D+01  0.598756D+00
      2  -0.928018D+00 -0.590026D+01 -0.265702D+01 -0.382126D+01 -0.360777D+01
      3  -0.127963D+01  0.108455D+01 -0.229095D+01 -0.230852D+01 -0.541023D+01
                11            12            13            14            15 
      1  -0.450926D+00 -0.734213D-01 -0.180313D+01  0.661473D+00 -0.198444D+01
      2   0.120112D+01  0.243528D+01  0.488825D+00 -0.115765D+01 -0.776917D+00
      3  -0.849226D+01 -0.193100D+00 -0.209171D+01  0.332490D+01  0.263771D+01
                16            17            18            19            20 
      1   0.616107D+00  0.438032D+01  0.765758D+00  0.422845D+01 -0.230997D+01
      2  -0.532668D+01  0.578391D+00  0.980162D+01  0.233619D+01 -0.187686D+01
      3  -0.100732D+01  0.261850D+01  0.139766D+01 -0.102451D+02  0.288379D+01
                21            22            23            24            25 
      1  -0.471740D+01 -0.209008D+01  0.240770D+01 -0.166640D+01 -0.141196D+01
      2  -0.192186D+01 -0.232848D+01  0.152026D+01  0.403155D+01 -0.649102D+01
      3  -0.165120D+01  0.709140D+01  0.330087D+01  0.951468D+00 -0.148713D+01
                26            27            28            29            30 
      1   0.968787D+01 -0.515304D+01 -0.548010D+01 -0.100187D+00  0.177426D+01
      2   0.581010D+01 -0.446462D+01 -0.214369D+01 -0.131645D+01 -0.808619D+01
      3   0.247527D+01 -0.749353D+00  0.336976D+01 -0.215198D+01  0.130828D+00
                31            32            33            34            35 
      1  -0.185841D+01 -0.622925D+00  0.438386D+01 -0.469095D+01  0.222772D+02
      2  -0.495603D+00 -0.636874D+00 -0.179959D+01 -0.147361D+02  0.399823D+01
      3   0.287088D+01 -0.472353D+00 -0.317473D+00 -0.146457D+00 -0.980123D+00
                36            37            38            39            40 
      1  -0.500346D+00  0.105508D+01  0.191318D+01  0.152470D+01  0.226810D+01
      2   0.492668D+00 -0.384391D-01  0.168832D+00  0.416764D+01 -0.466290D+00
      3  -0.169943D+00 -0.287043D+01  0.176321D+01 -0.732114D-01  0.802714D+01
                41            42            43            44            45 
      1   0.677762D+01  0.157980D+01 -0.433091D+01  0.713052D+01 -0.595254D+01
      2   0.266589D+00 -0.215123D+01 -0.464120D+01 -0.757565D+00 -0.102984D+00
      3   0.555148D+01 -0.179848D+01  0.141595D+01 -0.307643D+01  0.185170D+01
                46            47            48            49            50 
      1   0.117723D+01 -0.248652D+01  0.288354D+01 -0.208259D+01  0.347451D+00
      2   0.159899D+01 -0.882873D+00  0.289631D+01 -0.462647D+00  0.161089D+01
      3   0.946149D+00 -0.135540D+01 -0.905961D+00  0.181738D+01  0.559142D+00
                51            52            53            54            55 
      1  -0.308219D+01  0.309857D+01 -0.476257D+01  0.105288D+02 -0.239217D+01
      2  -0.224796D+01  0.316271D+00 -0.497752D+01  0.862559D+01 -0.196907D+01
      3  -0.921910D+00 -0.318784D+01 -0.311673D+01  0.661803D+00 -0.261026D+01
                56            57            58            59            60 
      1   0.431059D+01  0.343291D+01  0.268793D+01 -0.280271D+01 -0.390182D+01
      2   0.251904D+01  0.368217D+01  0.114113D+01 -0.290026D+01 -0.287208D+01
      3  -0.255312D+01  0.102236D+01  0.288463D+01  0.116282D+01  0.294330D+00
                61            62            63            64            65 
      1   0.355288D+01 -0.372066D+01 -0.456301D+01  0.268158D+01 -0.436258D+00
      2   0.134449D+01 -0.391992D+01 -0.368743D+01  0.510891D+00 -0.102789D-01
      3   0.294506D+01  0.175431D+01  0.115674D+00  0.238297D+01 -0.138164D+02
                66            67            68            69            70 
      1  -0.305539D+01  0.481570D+00  0.787040D+00 -0.353454D+01  0.182953D+01
      2   0.125292D+02  0.690158D+00  0.404791D+00  0.413414D+01  0.499365D+01
      3   0.332947D+00 -0.182457D+01 -0.746276D+01  0.339076D+00  0.952403D+00
                71            72            73            74            75 
      1  -0.499374D+01  0.579919D+00  0.874757D+00 -0.102343D+01 -0.482074D+00
      2  -0.505909D+00 -0.575819D+00  0.113360D+01 -0.461780D+00  0.538894D+00
      3   0.108557D+01 -0.830591D+00  0.551701D+00 -0.154011D+01  0.444250D+00
                76            77            78            79            80 
      1   0.127480D+01 -0.545846D+01 -0.555285D+01  0.639551D+00 -0.382472D+01
      2  -0.894673D-01 -0.639502D+00  0.248195D+00 -0.162605D+01 -0.146995D+00
      3   0.441353D+01 -0.310801D+00  0.132233D+00  0.251927D+01  0.282984D+00
                81            82            83            84            85 
      1  -0.388362D+01 -0.613580D+00  0.359962D+00  0.268734D+00  0.716393D-01
      2   0.283595D-01 -0.236100D+01  0.185346D+00  0.583930D+00  0.227744D+00
      3  -0.406483D+00 -0.167671D+01 -0.172925D+01 -0.632365D+00  0.125066D+01
                86            87            88            89            90 
      1   0.208498D+01 -0.386605D+01  0.351181D+01 -0.407623D+01  0.104960D+02
      2  -0.793947D-01  0.317777D+00 -0.206021D+01 -0.433596D+00 -0.346646D+00
      3  -0.903248D+00  0.598974D+00 -0.419841D+01  0.103162D+01 -0.155675D+01
                91            92            93            94            95 
      1   0.129312D+01  0.868923D+00 -0.227584D+01  0.115140D+01  0.265778D+01
      2  -0.954553D+00 -0.114821D+01  0.190861D+01 -0.911206D+00 -0.225101D+01
      3   0.300749D+01 -0.547716D+00 -0.921129D+00  0.460814D+01 -0.104184D+01
                96            97            98            99           100 
      1  -0.408645D+01 -0.160674D+01 -0.122917D+01  0.155671D+01 -0.135511D+01
      2   0.207444D+01  0.603588D-01  0.181649D+01 -0.125298D+01  0.118869D-01
      3   0.182890D+00 -0.275173D+01  0.129963D+01  0.592787D+00  0.284736D+00
               101           102           103           104           105 
      1   0.782451D+00 -0.183227D+01  0.331394D-01 -0.992180D+00 -0.147005D+01
      2   0.131421D-01  0.154777D+01 -0.235500D-01 -0.181213D+00  0.492235D-01
      3  -0.159536D+01  0.148178D+01  0.246568D+00  0.100870D+01 -0.317150D+00
               106           107           108           109           110 
      1  -0.254927D+01  0.771390D+00 -0.110518D+02 -0.197131D+00 -0.125110D+01
      2  -0.262532D+01  0.128850D+01  0.474065D+01  0.834812D+01 -0.329169D+00
      3   0.377034D+01 -0.163233D+01  0.149980D+01  0.894596D+01  0.102579D+02
               111           112           113           114           115 
      1  -0.239546D+00 -0.156720D+01  0.234680D+01 -0.464454D+00 -0.181254D+01
      2  -0.725303D+00 -0.288553D+00  0.823754D+01  0.250083D+01 -0.779228D+01
      3  -0.841428D+00  0.195905D+02 -0.681922D+01 -0.772911D+01 -0.334836D+00
               116           117           118           119           120 
      1   0.297249D+01 -0.325071D+01  0.108999D+00  0.429129D+00  0.283048D+00
      2   0.350762D+01 -0.175228D+02 -0.621915D+00 -0.435853D+00  0.110901D+01
      3  -0.765534D+01 -0.251045D+01  0.921433D+00 -0.420061D+00  0.193090D+00
               121           122           123           124           125 
      1   0.680853D+00 -0.641816D+00 -0.295928D+00 -0.178732D+00  0.355328D+01
      2   0.190333D+00 -0.129167D+01  0.362354D+00 -0.373834D+01  0.439191D+00
      3   0.225130D+01 -0.921103D+00  0.136878D+01 -0.130893D+00  0.188480D+01
               126           127           128           129           130 
      1  -0.904011D+00  0.584665D+00 -0.249596D-01  0.278676D+00  0.595148D-01
      2  -0.998865D+01  0.225412D+01 -0.245758D+00  0.190637D+01 -0.170798D+00
      3  -0.401414D+00 -0.414195D+00 -0.149818D+01 -0.262062D+00 -0.891433D+00
               131           132           133           134           135 
      1   0.347862D-01 -0.106564D+01  0.762950D+00  0.287911D+01  0.407636D+01
      2   0.142916D+01 -0.157133D+01  0.827059D+00 -0.207660D+01  0.212469D+02
      3   0.121844D+01 -0.146450D+01 -0.573486D+00 -0.376226D+01  0.151133D+01
               136           137           138           139           140 
      1   0.781912D-01 -0.458650D-02 -0.545317D+00  0.262081D-01 -0.389805D+00
      2  -0.323271D+01 -0.150152D+01  0.506377D+01 -0.154874D+01 -0.265072D+01
      3  -0.990297D+01 -0.101363D+02  0.187713D+01 -0.797920D+01 -0.103192D+02
               141           142           143           144           145 
      1  -0.126853D+01  0.401663D+00  0.109641D+01  0.148803D+00 -0.758622D+00
      2   0.429707D+01  0.243533D+01  0.164131D+01 -0.115853D+01 -0.229638D+01
      3   0.286929D+01  0.195780D+01  0.398718D+01 -0.191851D+01  0.281472D+01
               146           147           148           149           150 
      1   0.527510D+00  0.100070D+01  0.693684D+00 -0.129110D+01 -0.372495D+01
      2   0.158526D+01  0.264651D+01  0.143046D+01 -0.478049D+01 -0.566845D+01
      3  -0.650175D+01 -0.101338D+01 -0.499783D+01  0.170815D+02  0.462812D+01
               151           152           153 
      1   0.736122D+00 -0.120042D+00 -0.103627D+01
      2   0.124156D+01 -0.366438D+01 -0.218871D+01
      3  -0.827272D+00  0.609429D+01  0.322126D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.246674D+01  0.635809D+01  0.199050D+01  0.370377D+01 -0.362821D+01
      2  -0.212707D+01 -0.127677D+02  0.172558D+01 -0.108772D+02 -0.474983D+01
      3  -0.339673D+00  0.640961D+01 -0.371609D+01  0.717345D+01  0.837804D+01
      4   0.415581D+00 -0.999808D+01  0.183320D+01 -0.993199D+01 -0.111234D+02
      5   0.262725D+01  0.323586D+01 -0.258029D+01  0.302753D+01  0.394293D+01
      6   0.338664D+01  0.189706D+01 -0.499393D+01  0.279205D+01  0.109976D+02
                 6             7             8             9            10 
      1  -0.295941D+01  0.258511D+01 -0.272548D+01  0.588691D+01 -0.112337D+02
      2   0.799095D+01  0.342175D+01  0.103822D+02  0.233216D+01  0.366171D+01
      3  -0.503155D+01 -0.600686D+01 -0.765676D+01 -0.821908D+01  0.757196D+01
      4   0.424163D+01  0.220163D+01  0.729919D+01 -0.932876D+01  0.606428D+01
      5  -0.211011D+01 -0.299791D+01 -0.469857D+01 -0.100686D+02 -0.644420D+01
      6  -0.127583D+01 -0.658080D+01 -0.400143D+01 -0.149638D+02 -0.281880D+00
                11            12            13            14            15 
      1   0.532775D+01 -0.330748D+01  0.865357D+01  0.102604D+02  0.151016D+01
      2  -0.497003D+00  0.172890D+01 -0.328785D+01 -0.503423D+01 -0.185875D+01
      3  -0.483074D+01  0.157858D+01 -0.536572D+01 -0.522617D+01  0.348593D+00
      4   0.145335D+01  0.115386D+01  0.742349D+01 -0.425931D+01 -0.176749D+01
      5   0.166530D+01 -0.131479D+01  0.870990D+00 -0.213180D+01 -0.132190D+01
      6  -0.384765D+00  0.816951D+00 -0.124192D+01 -0.549035D+00  0.109813D+01
                16            17            18            19            20 
      1  -0.808579D+01  0.190825D+01  0.823935D+01  0.624702D-01 -0.476447D+01
      2   0.231919D+01 -0.267722D+01  0.884965D+01 -0.157513D+01  0.869463D+01
      3   0.576660D+01  0.768974D+00 -0.170890D+02  0.151266D+01 -0.393015D+01
      4   0.565157D+00 -0.265351D+01 -0.128545D+01  0.420239D+01 -0.134344D+02
      5   0.336888D+01 -0.126740D+01  0.221738D+02  0.303296D+01 -0.478817D+01
      6  -0.284212D+00  0.437793D+01 -0.380622D+00 -0.462997D+01  0.329178D+01
                21            22            23            24            25 
      1   0.222448D+01  0.388500D+01 -0.571494D+01 -0.108289D+01  0.118297D+00
      2   0.228275D+01  0.389653D+00  0.109734D+02 -0.268588D+01  0.315076D+01
      3  -0.450722D+01 -0.427465D+01 -0.525851D+01  0.376877D+01 -0.326906D+01
      4  -0.348234D+01 -0.190284D+01  0.899457D+01  0.173790D+01 -0.600399D+01
      5  -0.668467D+01 -0.436610D+01  0.222425D+01  0.762976D+01 -0.700174D+01
      6   0.811886D+01  0.379246D+01 -0.410516D+01 -0.452551D+01  0.858510D+01
                26            27            28            29            30 
      1  -0.528988D+01  0.741040D+01 -0.423368D+02 -0.718205D+01 -0.230401D+00
      2  -0.276799D+01 -0.412087D+01  0.229375D+02 -0.725487D+00 -0.670228D-01
      3   0.805787D+01 -0.328954D+01  0.193993D+02  0.790753D+01  0.297424D+00
      4  -0.582600D+00  0.161580D+02 -0.232639D+02 -0.152657D+02  0.118040D+01
      5   0.116392D+02 -0.686234D+01  0.188907D+01  0.141341D+01 -0.110283D+02
      6  -0.149047D+02  0.116913D+02 -0.131303D+01 -0.535017D+00 -0.339348D+01
                31            32            33            34            35 
      1  -0.176649D+02 -0.724694D+00  0.100751D+00  0.693984D+00  0.690714D+00
      2   0.113915D+02 -0.439207D+01 -0.652864D+00 -0.954536D+00  0.716518D+00
      3   0.627334D+01  0.511677D+01  0.552113D+00  0.260552D+00 -0.140723D+01
      4  -0.653180D+01 -0.145691D+01  0.346720D+00  0.199930D+01  0.114052D+01
      5   0.192710D+01  0.193278D-01 -0.280703D+01  0.302935D+01 -0.130189D+01
      6  -0.142294D+01  0.185988D+01 -0.366253D+01 -0.112493D+01  0.487431D+01
                36            37            38            39            40 
      1  -0.953066D+01  0.266200D+01 -0.370589D+00  0.239229D+01 -0.108063D+02
      2  -0.161020D+01  0.205109D+01 -0.250253D+01 -0.230422D+01  0.553676D+01
      3   0.111409D+02 -0.471309D+01  0.287311D+01 -0.880733D-01  0.526950D+01
      4  -0.354333D+01 -0.624669D+00  0.523944D+01 -0.368952D+00 -0.869489D+00
      5   0.156299D+01  0.269084D+00 -0.809861D+00  0.257182D+01 -0.284937D+00
      6  -0.644959D+00  0.170786D+01 -0.269276D+01  0.100682D+00 -0.146518D+01
                41            42            43            44            45 
      1   0.903062D+01  0.928708D+00  0.933319D+01 -0.988944D+00  0.135542D+02
      2  -0.105076D+02 -0.572947D+01 -0.476698D+01 -0.524904D+01 -0.835964D+01
      3   0.147702D+01  0.480077D+01 -0.456621D+01  0.623798D+01 -0.519454D+01
      4  -0.529657D+01 -0.129019D+01  0.229225D+01 -0.176525D+01  0.344350D+01
      5  -0.137065D+01 -0.172603D+01 -0.263990D+01  0.150592D+01 -0.371481D+01
      6  -0.107679D+02 -0.814383D+01  0.535262D+01 -0.145436D+02  0.104760D+02
                46            47            48            49            50 
      1   0.100220D+01  0.320400D+00  0.127596D+01  0.993868D+00 -0.696300D+01
      2  -0.112637D+01 -0.176161D+01 -0.179067D+01 -0.227299D+01  0.757379D+01
      3   0.124168D+00  0.144121D+01  0.514710D+00  0.127912D+01 -0.610797D+00
      4  -0.607848D+01  0.927127D+01 -0.524054D+01  0.525907D+01 -0.789716D+01
      5   0.563566D+01 -0.310625D+01  0.799660D+01 -0.112811D+01  0.392901D+01
      6  -0.457309D+01  0.307359D+01 -0.441498D+01  0.291679D+01 -0.755894D+01
                51            52            53            54            55 
      1   0.486650D+01  0.240442D+01  0.930293D+01 -0.122445D+02  0.804136D+01
      2  -0.414678D+01 -0.326147D+01 -0.584923D+01 -0.208281D+01 -0.358246D-01
      3  -0.719716D+00  0.857050D+00 -0.345369D+01  0.143274D+02 -0.800554D+01
      4   0.494192D+01 -0.737965D+01  0.100363D+02 -0.125596D+02 -0.167675D+02
      5  -0.414489D+01  0.898381D+01 -0.914626D+01  0.169768D+02 -0.840741D+01
      6   0.979414D+01 -0.691322D+01  0.160502D+02 -0.223697D+02  0.654615D+01
                56            57            58            59            60 
      1  -0.413388D+00 -0.220536D+01  0.641198D+00 -0.726449D+01 -0.229198D+01
      2  -0.622946D+01 -0.831914D-01 -0.598159D+01  0.147996D+02  0.486980D+01
      3   0.664285D+01  0.228856D+01  0.534039D+01 -0.753508D+01 -0.257783D+01
      4   0.186638D+02  0.728498D+01  0.126351D+02 -0.169756D+02 -0.646736D+01
      5   0.560637D+01  0.792752D+01  0.402303D+01 -0.625980D+01 -0.539069D+01
      6  -0.587751D+01 -0.602905D+01 -0.483237D+01  0.887480D+01  0.848935D+01
                61            62            63            64            65 
      1  -0.278351D+01 -0.360398D+01 -0.424476D+01  0.866899D+02  0.156999D+02
      2   0.179813D+00  0.702835D+01  0.196827D+01 -0.469960D+02 -0.398676D+01
      3   0.260370D+01 -0.342437D+01  0.227649D+01 -0.396939D+02 -0.117132D+02
      4   0.106302D+02 -0.109169D+02 -0.105812D+02  0.363580D+02  0.278939D+02
      5   0.883131D+01 -0.872788D+01 -0.883673D+01 -0.320218D+01 -0.117793D+01
      6  -0.733797D+01  0.123943D+02  0.959619D+01  0.153181D+01  0.412998D+00
                66            67            68            69            70 
      1  -0.130436D+01  0.171981D+02  0.101087D+02  0.125665D+00 -0.184406D+01
      2   0.118727D+01 -0.575232D+01  0.163340D+01 -0.205800D+00  0.197594D+01
      3   0.117092D+00 -0.114458D+02 -0.117421D+02  0.801352D-01 -0.131885D+00
      4  -0.638411D+00  0.288242D+02  0.202958D+02 -0.367629D+00 -0.619627D+00
      5   0.209321D+02 -0.102869D+01 -0.670468D+00  0.643477D+01  0.251046D+02
      6   0.520302D+01  0.576721D+00 -0.834422D+00  0.636638D+01  0.570859D+01
                71            72            73            74            75 
      1   0.181848D+00  0.126371D+02  0.301122D+00 -0.183794D+01 -0.705201D+00
      2  -0.117607D+00 -0.103949D+02  0.136765D+01  0.316431D+01  0.655653D+00
      3  -0.642409D-01 -0.224221D+01 -0.166877D+01 -0.132637D+01  0.495483D-01
      4  -0.310521D+00  0.892078D+01  0.167713D+01  0.837692D+01  0.248966D+01
      5   0.741148D+01 -0.230198D+01  0.679980D+00  0.163566D+01  0.243463D+01
      6   0.731770D+01 -0.133217D+00  0.246920D+01  0.137537D+01  0.535473D+00
                76            77            78            79            80 
      1   0.190362D+01 -0.232639D+02 -0.714759D+01 -0.105728D+01 -0.100661D+02
      2  -0.844566D+00  0.334078D+02  0.899770D+01  0.626485D+00  0.117487D+02
      3  -0.105905D+01 -0.101439D+02 -0.185011D+01  0.430791D+00 -0.168258D+01
      4   0.594321D+01  0.169778D+01  0.816038D+00  0.360725D+01  0.112612D+01
      5   0.129904D+01  0.126329D+01  0.725206D+00  0.219611D+01  0.761620D+00
      6   0.189403D+00  0.149951D+02  0.111256D+02 -0.943405D+00  0.141575D+02
                81            82            83            84            85 
      1  -0.976747D+01  0.313102D-01 -0.149642D+00 -0.784288D+00  0.225803D+01
      2   0.637198D+01 -0.154372D+01 -0.236069D+00  0.188537D+00 -0.231345D+01
      3   0.339548D+01  0.151241D+01  0.385711D+00  0.595750D+00  0.554182D-01
      4   0.812700D-01 -0.256452D+01  0.341259D+01 -0.337479D+01  0.226637D+01
      5   0.109241D+01  0.737073D+00 -0.194946D+01  0.443329D+01 -0.786542D+00
      6   0.979274D+01 -0.316700D+01  0.872917D+00 -0.157789D+01  0.103675D+01
                86            87            88            89            90 
      1  -0.101773D+02  0.538981D+01 -0.281855D+01  0.105842D+02 -0.177186D+02
      2   0.979681D+01 -0.389384D+01  0.302190D+00 -0.630862D+01  0.126250D+01
      3   0.380497D+00 -0.149596D+01  0.251636D+01 -0.427559D+01  0.164561D+02
      4  -0.164751D+01  0.911129D+00 -0.552266D+01  0.123063D+01 -0.226331D+01
      5   0.960942D+00 -0.618987D-01  0.438918D+01 -0.122198D+01  0.189960D+01
      6  -0.668936D+01  0.933357D+01 -0.412910D+01  0.143343D+02 -0.201002D+02
                91            92            93            94            95 
      1   0.171527D+01 -0.295414D+01 -0.409596D+00 -0.257668D+01 -0.149757D+02
      2   0.551208D+01  0.109303D+02 -0.142074D+01  0.990243D+01  0.317087D+02
      3  -0.722735D+01 -0.797612D+01  0.183033D+01 -0.732575D+01 -0.167330D+02
      4   0.126981D+02  0.160959D+02 -0.372337D+01  0.151209D+02  0.208864D+02
      5  -0.325887D+01 -0.222713D+01  0.352502D+01 -0.208384D+01 -0.377734D+01
      6  -0.376537D+01 -0.324067D+01  0.388771D+01 -0.307908D+01 -0.867568D+01
                96            97            98            99           100 
      1   0.307845D+01 -0.700517D+00  0.570319D+01 -0.430640D+01  0.560747D+00
      2  -0.622149D+01 -0.185805D+01 -0.100691D+02  0.354532D+01 -0.242107D+01
      3   0.314304D+01  0.255857D+01  0.436590D+01  0.761084D+00  0.186033D+01
      4  -0.457562D+01 -0.643553D+01 -0.804623D+01  0.582165D+01  0.253302D+01
      5   0.303060D+01  0.396320D+01  0.413116D+01 -0.270268D+01  0.394966D+01
      6   0.752337D+01  0.497971D+01  0.926653D+01 -0.506551D+01  0.306125D+01
               101           102           103           104           105 
      1  -0.972526D+00  0.395372D+00 -0.186903D+01 -0.310111D+01 -0.269437D+01
      2   0.217861D+01 -0.222055D+01  0.294624D+01  0.271924D+01  0.242427D+01
      3  -0.120608D+01  0.182518D+01 -0.107721D+01  0.381872D+00  0.270096D+00
      4   0.457159D+01  0.326783D+01  0.301888D+01  0.304607D+01  0.147231D+01
      5   0.118911D+01  0.730835D+01 -0.281685D+00  0.124666D+01  0.647031D-01
      6   0.142610D+01  0.304888D+01  0.879778D+00  0.294666D+01  0.601796D+01
               106           107           108           109           110 
      1   0.764011D+00 -0.584910D+01 -0.145272D+02  0.977664D+00 -0.186671D+02
      2  -0.351874D+01  0.345643D+01 -0.763610D+01 -0.173016D+01  0.130026D+02
      3   0.275473D+01  0.239267D+01  0.221633D+02  0.752492D+00  0.566447D+01
      4   0.518173D+01  0.383415D+01  0.703971D+01 -0.186970D+02 -0.191036D+02
      5   0.708481D+01  0.344846D+01  0.124725D+02  0.152225D+02 -0.986004D+00
      6   0.532788D+01  0.971133D+01  0.216307D+02 -0.198648D+01  0.246089D+01
               111           112           113           114           115 
      1   0.108060D+02 -0.240366D+02 -0.185571D+02  0.212485D+01  0.142492D+02
      2  -0.425728D+01  0.172941D+02  0.295179D+01 -0.487454D+01 -0.322921D+01
      3  -0.654869D+01  0.674241D+01  0.156053D+02  0.274969D+01 -0.110200D+02
      4  -0.109149D+01 -0.269206D+02  0.164007D+02  0.148430D+02 -0.147417D+01
      5  -0.316729D+01 -0.915524D+00  0.160307D+02  0.452409D+01 -0.671080D+01
      6   0.545589D+00  0.339548D+01 -0.489204D+01 -0.191466D+01  0.177633D+01
               116           117           118           119           120 
      1   0.134578D+01  0.162950D+01  0.331172D+01 -0.103680D+01 -0.275381D+01
      2  -0.490206D+01  0.478739D+01 -0.508672D+01  0.392477D+00  0.140782D+01
      3   0.355628D+01 -0.641689D+01  0.177500D+01  0.644319D+00  0.134599D+01
      4   0.146783D+02  0.519191D+01 -0.955451D+00  0.170024D+01 -0.604662D-01
      5   0.556451D+01 -0.313486D+02 -0.254781D+01 -0.442319D+00  0.763822D+01
      6  -0.280452D+01  0.668996D+01 -0.175482D+00 -0.191505D+00  0.285183D-02
               121           122           123           124           125 
      1  -0.451536D+00 -0.476555D+01  0.847283D+00 -0.422135D+01  0.130023D+01
      2  -0.385321D-01  0.759326D+00  0.574834D+00  0.455046D+01 -0.124002D+00
      3   0.490068D+00  0.400622D+01 -0.142212D+01 -0.329119D+00 -0.117623D+01
      4   0.154623D+01  0.100747D+01 -0.194516D+01  0.862659D+00 -0.230544D+01
      5  -0.536845D+00 -0.248648D+01  0.113691D+01  0.674795D+01  0.580762D+00
      6  -0.359057D+00 -0.422317D+00  0.738826D+01 -0.808122D-01  0.446037D+01
               126           127           128           129           130 
      1  -0.188203D+02  0.230765D+01  0.120886D+01  0.471791D+01  0.177264D+01
      2  -0.173645D+02 -0.303670D+01 -0.795726D+00 -0.301008D+01 -0.156953D+01
      3   0.361847D+02  0.729045D+00 -0.413133D+00 -0.170783D+01 -0.203112D+00
      4   0.123702D+01  0.955883D+00  0.302643D+01 -0.126115D+01  0.576982D+01
      5  -0.211289D+02  0.399060D+01 -0.688430D+00  0.680637D+01 -0.709049D+00
      6  -0.445098D-01 -0.105508D+01 -0.504752D+00 -0.569247D+00  0.714242D+00
               131           132           133           134           135 
      1   0.855053D+00  0.534351D+00  0.116723D+02  0.285950D+00 -0.516130D+01
      2  -0.693561D-01 -0.161675D+00 -0.934532D+01 -0.890027D-01 -0.128952D+02
      3  -0.785696D+00 -0.372676D+00 -0.232701D+01 -0.196947D+00  0.180565D+02
      4  -0.357724D+01  0.298169D+01 -0.369760D+01  0.664248D+01 -0.401541D+01
      5   0.279221D+01 -0.296792D+01  0.145920D+02 -0.441042D+01  0.401085D+02
      6  -0.117216D+01  0.527251D+01 -0.220309D+01  0.600143D+01 -0.914363D+01
               136           137           138           139           140 
      1   0.460635D+02  0.171151D+02 -0.726945D+01  0.295857D+02  0.139355D+02
      2  -0.241699D+02 -0.924673D+01  0.417095D+01 -0.150908D+02 -0.399803D+01
      3  -0.218936D+02 -0.786841D+01  0.309850D+01 -0.144949D+02 -0.993743D+01
      4   0.165534D+02  0.165906D+02 -0.277945D+01  0.203811D+02  0.183412D+02
      5  -0.823165D+01 -0.304751D+01  0.935723D+01 -0.440666D+01 -0.540068D+01
      6  -0.167466D+00 -0.232343D-01  0.246770D+00 -0.693306D+00 -0.390552D+00
               141           142           143           144           145 
      1  -0.337663D+01 -0.120274D+02 -0.282635D+01  0.538073D+01  0.139642D+02
      2   0.232431D+01  0.689528D+01  0.233014D+01 -0.499094D+01 -0.397513D+01
      3   0.105232D+01  0.513209D+01  0.496218D+00 -0.389787D+00 -0.998906D+01
      4  -0.537727D+01 -0.360325D+01 -0.682598D+01  0.374325D+01 -0.123870D+02
      5   0.761850D+01  0.106761D+02  0.432744D+01 -0.379429D+01 -0.559328D+01
      6   0.213757D+01  0.113219D+01  0.259808D+01 -0.181470D+01  0.241192D+01
               146           147           148           149           150 
      1  -0.752241D+01 -0.436787D+01 -0.132702D+02  0.444781D+01  0.372932D+00
      2   0.306588D+00  0.157397D+01  0.727195D+00  0.134233D+02  0.259604D+01
      3   0.721582D+01  0.279390D+01  0.125430D+02 -0.178711D+02 -0.296897D+01
      4   0.172526D+02  0.432115D+01  0.254089D+02 -0.383169D+02 -0.101531D+02
      5   0.398748D+01  0.546406D+01  0.538029D+01 -0.103121D+02 -0.106341D+02
      6  -0.136050D+01 -0.152821D+01 -0.285133D+01  0.589366D+01  0.659540D+01
               151           152           153 
      1  -0.851449D+01  0.373358D+00  0.503097D+00
      2   0.328011D+01  0.281808D+01 -0.742097D+00
      3   0.523438D+01 -0.319144D+01  0.238999D+00
      4   0.739628D+01 -0.125813D+02 -0.806003D+01
      5   0.782360D+01 -0.847677D+01 -0.517909D+01
      6  -0.314553D+01  0.645718D+01  0.429404D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.125502D+01      0.318995D+01      0.106405D+02
   x          0.116988D+01      0.297354D+01      0.991865D+01
   y          0.447327D+00      0.113699D+01      0.379260D+01
   z         -0.797473D-01     -0.202697D+00     -0.676126D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.706838D+02      0.104743D+02      0.116542D+02
   aniso      0.205228D+02      0.304116D+01      0.338375D+01
   xx         0.820999D+02      0.121659D+02      0.135364D+02
   yx        -0.197655D+00     -0.292895D-01     -0.325889D-01
   yy         0.714870D+02      0.105933D+02      0.117866D+02
   zx         0.218277D+00      0.323453D-01      0.359890D-01
   zy        -0.409232D+00     -0.606419D-01     -0.674732D-01
   zz         0.584646D+02      0.866355D+01      0.963950D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.749358D+02      0.111043D+02      0.123552D+02
   aniso      0.224196D+02      0.332224D+01      0.369649D+01
   xx         0.874405D+02      0.129574D+02      0.144170D+02
   yx         0.119355D+00      0.176866D-01      0.196790D-01
   yy         0.757470D+02      0.112245D+02      0.124890D+02
   zx         0.348496D+00      0.516418D-01      0.574593D-01
   zy        -0.489885D+00     -0.725934D-01     -0.807711D-01
   zz         0.616199D+02      0.913112D+01      0.101597D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.07672834          1.57418556          1.82045665
     6          0.85782536         -0.60445233          1.88289168
     6         -0.82951146          2.68637749         -0.83724603
     6         -0.03734411          0.46082802         -2.49496395
     6          0.65280731         -1.74334559         -0.77375511
     1          0.69430021          4.08359179         -0.92942323
     1         -2.52308751          3.58878178         -1.58320327
     8          0.03084971          0.45457363         -4.76872348
     1          2.33496657         -2.71940700         -1.45007782
     1         -0.91586683         -3.09600251         -0.85827625
     1         -0.75526009          2.95042638          3.31939032
     1         -2.97577969          0.80081344          2.09156224
     6          0.45362206         -2.47435882          4.02665890
     1          2.74314012          0.23178300          2.07673504
     1         -1.40925412         -3.35575470          3.88178154
     1          0.56905560         -1.53916833          5.86303876
     1          1.86695971         -3.97707855          3.99398833

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.125502D+01      0.318995D+01      0.106405D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.125502D+01      0.318995D+01      0.106405D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.706838D+02      0.104743D+02      0.116542D+02
   aniso      0.205228D+02      0.304116D+01      0.338375D+01
   xx         0.599368D+02      0.888172D+01      0.988225D+01
   yx        -0.429091D+01     -0.635847D+00     -0.707475D+00
   yy         0.715971D+02      0.106096D+02      0.118048D+02
   zx        -0.615036D-01     -0.911389D-02     -0.101406D-01
   zy        -0.393226D+01     -0.582701D+00     -0.648343D+00
   zz         0.805175D+02      0.119315D+02      0.132755D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.749358D+02      0.111043D+02      0.123552D+02
   aniso      0.224196D+02      0.332224D+01      0.369649D+01
   xx         0.631555D+02      0.935868D+01      0.104129D+02
   yx        -0.453141D+01     -0.671486D+00     -0.747129D+00
   yy         0.757410D+02      0.112237D+02      0.124880D+02
   zx        -0.239745D+00     -0.355265D-01     -0.395286D-01
   zy        -0.412502D+01     -0.611265D+00     -0.680124D+00
   zz         0.859109D+02      0.127307D+02      0.141648D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-K11-34-02\Freq\RLC-PBEPBE\Gen\C6H10O1\PIERPA\16-Jul-2021\
 0\\#P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,T
 ight) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=033
 5000000,3/108=0335000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/
 131=-1)\\ROA calculations.\\0,1\C,0.561346,1.265532,0.172998\C,1.07501
 1,-0.082384,-0.37245\C,-0.949016,1.226539,-0.069358\C,-1.318654,-0.252
 798,0.015396\C,-0.029451,-1.06589,0.032823\H,-1.198655,1.562128,-1.081
 455\H,-1.551039,1.816556,0.620921\O,-2.436471,-0.697326,0.059393\H,-0.
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 The number of Unix installations has grown to 10,
  with more expected.
                  -- The Unix Programmer's Manual,
                     2nd Edition, June, 1972.
 Job cpu time:       0 days  3 hours 48 minutes  3.8 seconds.
 Elapsed time:       0 days  0 hours 28 minutes 46.1 seconds.
 File lengths (MBytes):  RWF=    222 Int=      0 D2E=      0 Chk=      7 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 19:42:53 2021.
